Structure & Deep Data of Ethinyl estradiol (C20H24O2)
Identification of Ethinyl estradiol Chemical Compound
| Chemical Formula | C20H24O2 |
|---|---|
| Molecular Weight | 296.40336 g/mol |
| IUPAC Name | (1S,10R,11S,14R,15S)-14-ethynyl-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-5,14-diol |
| SMILES String | CC34CCC1C(CCc2cc(O)ccc12)C3CCC4(O)C#C |
| InChI | InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1 |
| InChIKey | BFPYWIDHMRZLRN-SLHNCBLASA-N |
Chemical Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The ethinyl estradiol molecule contains a total of 49 bond(s). There are 25 non-H bond(s), 7 multiple bond(s), 1 triple bond(s), 6 aromatic bond(s), 1 five-membered ring(s), 3 six-membered ring(s), 1 nine-membered ring(s), 2 ten-membered ring(s), 1 hydroxyl group(s), 1 aromatic hydroxyl(s), and 1 tertiary alcohol(s). Images of the chemical structure of ethinyl estradiol are given below:
The 2D chemical structure image of ethinyl estradiol is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of ethinyl estradiol are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.
The 3D chemical structure image of ethinyl estradiol is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of ethinyl estradiol. Download structure data file (SDF/MOL) file of this compound.
chemical table area
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of ethinyl estradiol is provided here.
The ethinyl estradiol molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the ethinyl estradiol molecule can be increased or decreased by scrolling the mouse wheel.
The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of ethinyl estradiol can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.
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Additional Information for Identifying Ethinyl estradiol Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of ethinyl estradiol
The SMILES string of ethinyl estradiol is CC34CCC1C(CCc2cc(O)ccc12)C3CCC4(O)C#C, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the ethinyl estradiol.
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Structure Data File (SDF/MOL File) of ethinyl estradiol
The structure data file (SDF/MOL File) of ethinyl estradiol is available for download in the SDF page of ethinyl estradiol, which provides the information about the atoms, bonds, connectivity and coordinates of ethinyl estradiol. The ethinyl estradiol structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of ethinyl estradiol
The molecular formula of ethinyl estradiol is available in chemical formula page of ethinyl estradiol, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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Molecular weight of ethinyl estradiol
The molecular weight of ethinyl estradiol is available in molecular weight page of ethinyl estradiol, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.
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Other names (synonyms) or registry numbers of ethinyl estradiol
The ethinyl estradiol compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of ethinyl estradiol including the various registry numbers, if available:
- 17alpha-Ethynyloestradiol-17beta; 17beta-Estradiol, 17-ethynyl-
- 17alpha-Ethynyloestradiol
- 17alpha-Ethinylestradiol-17beta
- 17alpha-Ethinylestradiol
- 17alpha-Ethinyl-3,17-dihydroxy-delta(sup1,3,5)-estratriene
- 17-alpha-Ethynylestradiol-17-beta
- 17-alpha-Ethynylestradiol
- 17-alpha-Ethynyl-17-beta-oestradiol
- 17-alpha-Ethynyl-1,3,5-oestratriene-3,17-beta-diol
- 17-alpha-Ethynyl-1,3,5(10)-oestratriene-3,17-beta-diol
- 17-alpha-Ethynyl-1,3,5(10)-estratriene-3,17-beta-diol
- 17-alpha-Ethinyloestra-1,3,5(10)-triene-3,17-beta-diol
- 17-alpha-Ethinylestra-1,3,5(10)-triene-3,17-beta-diol
- 17-alpha-Ethinyl-delta(sup 1,3,5(10))oestratriene-3,17-beta-diol
- 17-alpha-Ethinyl-3,17-dihydroxy-delta(sup 1,3,5)-estratriene
- 17-alpha-Ethinyl-17-beta-estradiol
- 17-Ethynyl-3,17-dihydroxy-1,3,5-oestratriene
- (17-alpha)-19-Norpregna-1,3,5(10)-trien-20-yne-3,17,diol
- (17beta)-17-ethynylestra-1(10),2,4-triene-3,17-diol
- component of Zorane
- component of Ovral
- component of Ortrel
- component of Oracon
- component of Norlestrin
- component of Estopherol
- component of Demulen
- Ylestrol
- Spanestrin
- Progynon C
- Primogyn M
- Primogyn C
- Primogyn
- Perovex
- Palonyl
- Orestrayln
- Orestralyn
- Oradiol
- Novestrol
- Nogest-S
- Neo-Estrone
- Menolyn
- Lynoral
- Linoral
- Inestra
- Ginestrene
- Follicoral
- Feminone
- Etistradiol
- Etinoestryl
- Etinestryl
- Etinestrol
- Eticylol
- Eticyclol
- Eticyclin
- Ethynylestradiol
- Ethinyloestradiol
- Ethinylestriol
- Ethinoral
- Ethidol
- Estradiol, 17-ethynyl-
- Estra-1,3,5[10]-triene-3,17.beta.-diol, 17-ethynyl-
- Estra-1,3,5(10)-triene-3,17.beta.-diol, 17.alpha.-ethynyl-
- Estra-1,3,5(10)-triene-3,17.beta.-diol, 17-ethynyl-
- Estorals
- Estoral [Orion]
- Estoral (Orion)
- Estoral
- Eston-E
- Estinyl
- Estigyn
- Esteed
- Ertonyl
- EE
- Dyloform
- Diogyn-E
- Diogyn E
- Diognat-E
- Chee-O-Genf
- Chee-O-Gen
- Amenoron
- 3,17.beta.-Dihydroxy-17.alpha.-ethynyl-1,3,5(10)-oestratriene
- 3,17.beta.-Dihydroxy-17.alpha.-ethynyl-1,3,5(10)-estratriene
- 19-nor-17.alpha.-Pregna-1,3,5(10)-trien-2-yne-3,17-diol
- 19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol, (17.alpha.)-
- 19-Nor-17.alpha.-pregna-1,3,5[10]-trien-20-yne-3,17-diol
- 19-Nor-17.alpha.-pregna-1,3,5(10)-trien-20-yne-3,17-diol
- 17.beta.-Estradiol, 17-ethynyl-
- 17.alpha.-ethinyloestra-1,3,5(10)-triene-3,17.beta.-diol
- 17.alpha.-ethinylestra-1,3,5(10)-triene-3,17.beta.-diol
- 17.alpha.-ethinyl-3,17-dihydroxy-.delta.(sup1,3,5)oestratriene
- 17.alpha.-ethinyl-.delta.(sup1,3,5(10))oestratriene-3,17-.beta.-diol
- 17.alpha.-Ethynyloestradiol-17.beta.
- 17.alpha.-Ethynyloestradiol
- 17.alpha.-Ethynyloestra-1,3,5(10)-triene-3,17.beta.-diol
- 17.alpha.-Ethynylestradiol-l7.beta.
- 17.alpha.-Ethynylestradiol
- 17.alpha.-Ethynylestra-1,3,5(10)-triene-3,17.beta.-diol
- 17.alpha.-Ethynyl-17.beta.-oestradiol
- 17.alpha.-Ethynyl-1,3,5-oestratriene-3,17.beta.-diol
- 17.alpha.-Ethynyl-1,3,5-estratriene-3,17.beta.-diol
- 17.alpha.-Ethinylestradiol
- 17.alpha.-Ethinyl-3,17-dihydroxy-.delta.(sup1,3,5)-estratriene
- 17.alpha.-Ethinyl-17.beta.-estradiol
- 17-Ethynyloestradiol
- 17-Ethynyloestra-1,3,5(10)-triene-3,17.beta.-diol
- 17-Ethynylestradiol
- 17-Ethynyl-3-17-dihydroxy-1,3,5-oestratriene
- 17-Ethinylestradiol
- 17-Ethinyl-3,17-oestradiol
- 17-Ethinyl-3,17-estradiol
- Ethinylestradiol (JP15/INN)
- Ethinyl estradiol (USP)
- Estinyl (TN)
- D00554
- 17alpha-ethynylestradiol
- 17alpha-ethynylestra-1,3,5(10)-triene-3,17beta-diol
- SGCUT00127
- 19-Nor-1,3,5(10),17alpha-pregnatrien-20-yne-3,17-diol
- 17a-Ethynylestradiol
- 17alpha-Ethynyl-1,3,5(10)-estratriene-3,17beta-diol
- LMST02010036
- 17alpha-ethinyl-estra-1,3,5(10)-triene-3,17beta-diol
- Ethynyl estradiol
- Ethinylestradiol
- Ethinyl estradiol
- 17alpha-Ethinyl estradiol
- Ortho-Cyclen
- Norethin 1/35 E
- Microfollin
- Levlen
- Halodrin
- Etinilestradiolo [DCIT]
- Etinilestradiol [INN-Spanish]
- Ethynyloestradiol
- Ethinyloestradiol [Steroidal oestrogens]
- Ethinylestradiolum [INN-Latin]
- Ethinyl-oestranol
- Ethinyl E2
- Estra-1,3,5(10)-triene-3,17beta-diol, 17alpha-ethynyl-
- Estra-1,3,5(10)-triene-3,17-beta-diol, 17-alpha-ethynyl-
- EE(sub 2)
- Diprol
- Aethinyoestradiol [German]
- Aethinyloestradiolum
- 3,17beta-Dihydroxy-17alpha-ethynyl-1,3,5(10)-oestratriene
- 3,17beta-Dihydroxy-17alpha-ethynyl-1,3,5(10)-estratriene
- 3,17-beta-Dihydroxy-17-alpha-ethynyl-1,3,5(10)-oestratriene
- 3,17-beta-Dihydroxy-17-alpha-ethynyl-1,3,5(10)-estratriene
- 19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol, (17alpha)-
- 19-Nor-17alpha-pregna-1,3,5(10)-trien-20-yne-3,17-diol
- 19-Nor-17-alpha-pregna-1,3,5(10)-triene-20-yne-3,17-diol
- 19-Nor-17-alpha-pregna-1,3,5(10)-trien-20-yne-3,17-diol
- 17alpha-ethinyloestra-1,3,5(10)-triene-3,17beta-diol
- 17alpha-ethinylestra-1,3,5(10)-triene-3,17beta-diol
- 17alpha-ethinyl-delta(sup1,3,5(10))oestratriene-3,17-beta -diol
- 17alpha-ethinyl-3,17-dihydroxy-delta(sup1,3,5)oestratriene
- 57-63-6
- 77538-56-8
- Estoral (VAN)
- Estopherol
- EO
- EE2
Ethinyl estradiol Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of ethinyl estradiol? |
|---|
| C20H24O2 |
| How many atoms and what are the elements included the ethinyl estradiol molecule? |
| 46 atom(s) - 24 Hydrogen atom(s), 20 Carbon atom(s), and 2 Oxygen atom(s) |
| How many chemical bonds and what kind of bonds are included the ethinyl estradiol structure? |
| 49 bond(s) - 25 non-H bond(s), 7 multiple bond(s), 1 triple bond(s), 6 aromatic bond(s), 1 five-membered ring(s), 3 six-membered ring(s), 1 nine-membered ring(s), 2 ten-membered ring(s), 1 hydroxyl group(s), 1 aromatic hydroxyl(s), and 1 tertiary alcohol(s) |
| What’s the ethinyl estradiol’s molecular weight? |
| 296.40336 g/mol |
| What’s the SMILES code of ethinyl estradiol? |
| CC34CCC1C(CCc2cc(O)ccc12)C3CCC4(O)C#C |
| What’s the InChI string of ethinyl estradiol? |
| InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1 |
| What’s the InChIKey code of ethinyl estradiol? |
| BFPYWIDHMRZLRN-SLHNCBLASA-N |
2106
The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).