Molecular Weight of 3-O-Methyl 17|A-Estradiol (C19H26O2)
Identification of 3-O-Methyl 17|A-Estradiol Chemical Compound
| Chemical Formula | C19H26O2 |
|---|---|
| Molecular Weight | 286.40854 g/mol |
| IUPAC Name | (1S,10R,11S,14R,15S)-5-methoxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-14-ol |
| SMILES String | COc4ccc3C2CCC1(C)C(O)CCC1C2CCc3c4 |
| InChI | InChI=1S/C19H26O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-18,20H,3,5,7-10H2,1-2H3/t15-,16-,17+,18-,19+/m1/s1 |
| InChIKey | ULAADVBNYHGIBP-FQBWVUSXSA-N |
Molecular Weight Description
The 3-O-Methyl 17|A-Estradiol molecule consists of 26 Hydrogen atom(s), 19 Carbon atom(s), and 2 Oxygen atom(s) - a total of 47 atom(s). The molecular weight of 3-O-Methyl 17|A-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:
$$ 286.40854 · \frac{g}{mol} $$
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.
chemical table area
Search Another Molecular Weight
Enter another compound to search for molecular weight:
Input example for Ethanol:
- Name: ethanol
- CAS #: 64-17-5
- Formula: C2H5OH
- Smiles: CCO
- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Deep Data Application Examples
Our Deep Data encompasses property data, spectral data, quantum chemical data, and molecular descriptor data for a wide range of chemical compounds. It features more than 2,100 high-quality datasets per single chemical compound, totaling over 8 billion datasets for 4.1+ million chemical compounds. Below are some application examples that may interest you:
- Thermophysical Property Datafile (IK-Cape File) for Process Simulators, e.g., Aspen Plus
- Free Radicals Thermodynamic Data for Oxidation, Combustion, and Thermal Cracking Kinetics
- Quantum Tools for IR Spectra Interpretation
- Instant Access to Molecular Orbitals
- Faster Quantum Calculations with Pre-Computed Results
- Chemical Big Data for Artificial Intelligence (AI) Developments
- Quantum Descriptors for QSAR·QSPR Modeling
- Deep Data Application Overview
Additional Information for Identifying 3-O-Methyl 17|A-Estradiol Molecule
-
Structure Data File (SDF/MOL File) of 3-O-Methyl 17|A-Estradiol
The structure data file (SDF/MOL File) of 3-O-Methyl 17|A-Estradiol is available for download in the SDF page of 3-O-Methyl 17|A-Estradiol, which provides the information on atoms, bonds, connectivity and coordinates of 3-O-Methyl 17|A-Estradiol. The 3-O-Methyl 17|A-Estradiol structure data file can be imported to most of the chemistry-related software, providing three-dimensional visualization and further analysis.
-
Chemical structure of 3-O-Methyl 17|A-Estradiol
The molecular structure image of 3-O-Methyl 17|A-Estradiol is available in chemical structure page of 3-O-Methyl 17|A-Estradiol, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in 3-O-Methyl 17|A-Estradiol and the chemical bonds that hold the atoms together.
-
Chemical formula of 3-O-Methyl 17|A-Estradiol
The molecular formula of 3-O-Methyl 17|A-Estradiol is given in chemical formula page of 3-O-Methyl 17|A-Estradiol, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
-
InChI (IUPAC International Chemical Identifier) information of 3-O-Methyl 17|A-Estradiol
In addition to the molecular weight information, the structural information of 3-O-Methyl 17|A-Estradiol in a textual expression is available via InChi. The full standard InChI of 3-O-Methyl 17|A-Estradiol is given below:
InChI=1S/C19H26O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-18,20H,3,5,7-10H2,1-2H3/t15-,16-,17+,18-,19+/m1/s1
It can provide a way to encode the molecular information of 3-O-Methyl 17|A-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 3-O-Methyl 17|A-Estradiol is:
InChIKey=ULAADVBNYHGIBP-FQBWVUSXSA-N
It may allow easier web searches for 3-O-Methyl 17|A-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 3-O-Methyl 17|A-Estradiol as the full standard InChI cannot be reconstructed from the InChIKey.
-
Other names (synonyms) or registry numbers of 3-O-Methyl 17|A-Estradiol
There may be different names of the 3-O-Methyl 17|A-Estradiol compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- (1S,10R,11S,14R,15S)-5-METHOXY-15-METHYLTETRACYCLO[8.7.0.0(2),?.0(1)(1),(1)?]HEPTADECA-2,4,6-TRIEN-14-OL
- 1,3,5(10)-Oestratrien-17.alpha.-ol, 3-methoxy
- 3-Methoxyestra-1,3,5(10)-triene-17|A-ol
- 3-Methoxyestra-1,3,5(10)-trien-17alpha-ol
- 3-methoxy-1,3,5(10)-estratrien-17alpha-ol
- 3434-76-2
- 3-O-Methyl 17|A-Estradiol
3-O-Methyl 17|A-Estradiol Identification Summary Frequently Asked Questions (FAQs)
| What’s the formula of 3-O-Methyl 17|A-Estradiol? |
|---|
| C19H26O2 |
| How many atoms and what are the elements in the 3-O-Methyl 17|A-Estradiol molecule? |
| 47 atom(s) - 26 Hydrogen atom(s), 19 Carbon atom(s), and 2 Oxygen atom(s) |
| How many chemical bonds and what types of bonds are in the 3-O-Methyl 17|A-Estradiol structure? |
| 50 bond(s) - 24 non-H bond(s), 6 multiple bond(s), 1 rotatable 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 secondary alcohol(s), and 1 ether(s) (aromatic) |
| What’s the molar mass of 3-O-Methyl 17|A-Estradiol? |
| 286.40854 g/mol |
| What’s the SMILES format of 3-O-Methyl 17|A-Estradiol? |
| COc4ccc3C2CCC1(C)C(O)CCC1C2CCc3c4 |
| What’s the InChI format of 3-O-Methyl 17|A-Estradiol? |
| InChI=1S/C19H26O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-18,20H,3,5,7-10H2,1-2H3/t15-,16-,17+,18-,19+/m1/s1 |
| What’s the InChIKey string of 3-O-Methyl 17|A-Estradiol? |
| ULAADVBNYHGIBP-FQBWVUSXSA-N |
41
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).