Molecular Weight 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 |
Molecular Weight Description
The ethinyl estradiol molecule consists of 24 Hydrogen atom(s), 20 Carbon atom(s), and 2 Oxygen atom(s) - a total of 46 atom(s). The molecular weight of ethinyl estradiol is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 296.40336 · \frac{g}{mol} $$
The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. Molecular weight is actually an older term of “relative molar mass” or “molecular mass”, which is a dimensionless quantity equal to the molar mass divided by the molar mass constant defined by 1 g/mol.
Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. The atomic mass takes into account the isotopic distribution of the element in a given sample.
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Additional Information for Identifying Ethinyl estradiol Molecule
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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 on atoms, bonds, connectivity and coordinates of ethinyl estradiol. The ethinyl estradiol structure data file can be imported to most of the chemistry-related software, providing three-dimensional visualization and further analysis.
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Chemical structure of ethinyl estradiol
The molecular structure image of ethinyl estradiol is available in chemical structure page of ethinyl estradiol, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in ethinyl estradiol and the chemical bonds that hold the atoms together.
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Chemical formula of ethinyl estradiol
The molecular formula of ethinyl estradiol is given 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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InChI (IUPAC International Chemical Identifier) information of ethinyl estradiol
In addition to the molecular weight information, the structural information of ethinyl estradiol in a textual expression is available via InChi. The full standard InChI of ethinyl estradiol is given below:
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
It can provide a way to encode the molecular information of ethinyl estradiol to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of ethinyl estradiol is:
InChIKey=BFPYWIDHMRZLRN-SLHNCBLASA-N
It may allow easier web searches for ethinyl estradiol. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the ethinyl estradiol as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of ethinyl estradiol
There may be different names of the ethinyl estradiol compound depending on the various situations of industrial applications, which are given below including the 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 formula of ethinyl estradiol? |
---|
C20H24O2 |
How many atoms and what are the elements in 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 types of bonds are in 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 molar mass of ethinyl estradiol? |
296.40336 g/mol |
What’s the SMILES format of ethinyl estradiol? |
CC34CCC1C(CCc2cc(O)ccc12)C3CCC4(O)C#C |
What’s the InChI format 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 string of ethinyl estradiol? |
BFPYWIDHMRZLRN-SLHNCBLASA-N |
1331
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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).