Molecular Weight of Capsiconiate (C20H28O4)
Identification of Capsiconiate Chemical Compound
| Chemical Formula | C20H28O4 |
|---|---|
| Molecular Weight | 332.43392 g/mol |
| IUPAC Name | (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-yl (6E)-8-methylnon-6-enoate |
| SMILES String | COc1cc(C=CCOC(=O)CCCCC=CC(C)C)ccc1O |
| InChI | InChI=1S/C20H28O4/c1-16(2)9-6-4-5-7-11-20(22)24-14-8-10-17-12-13-18(21)19(15-17)23-3/h6,8-10,12-13,15-16,21H,4-5,7,11,14H2,1-3H3/b9-6+,10-8+ |
| InChIKey | ZEWSMOFWZCBFSU-OAMUUVBCSA-N |
Molecular Weight Description
The capsiconiate molecule consists of 28 Hydrogen atom(s), 20 Carbon atom(s), and 4 Oxygen atom(s) - a total of 52 atom(s). The molecular weight of capsiconiate is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 332.43392 · \frac{g}{mol} $$
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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- Name: ethanol
- CAS #: 64-17-5
- Formula: C2H5OH
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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Capsiconiate Molecule
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Structure Data File (SDF/MOL File) of capsiconiate
The structure data file (SDF/MOL File) of capsiconiate is available for download in the SDF page of capsiconiate, which provides the information on atoms, bonds, connectivity and coordinates of capsiconiate. The capsiconiate 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 capsiconiate
The molecular structure image of capsiconiate is available in chemical structure page of capsiconiate, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in capsiconiate and the chemical bonds that hold the atoms together.
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Chemical formula of capsiconiate
The molecular formula of capsiconiate is given in chemical formula page of capsiconiate, 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 capsiconiate
In addition to the molecular weight information, the structural information of capsiconiate in a textual expression is available via InChi. The full standard InChI of capsiconiate is given below:
InChI=1S/C20H28O4/c1-16(2)9-6-4-5-7-11-20(22)24-14-8-10-17-12-13-18(21)19(15-17)23-3/h6,8-10,12-13,15-16,21H,4-5,7,11,14H2,1-3H3/b9-6+,10-8+
It can provide a way to encode the molecular information of capsiconiate 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 capsiconiate is:
InChIKey=ZEWSMOFWZCBFSU-OAMUUVBCSA-N
It may allow easier web searches for capsiconiate. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the capsiconiate as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of capsiconiate
There may be different names of the capsiconiate compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- 8-Methyl-6-nonenoic acid (E)-3-(3-methoxy-4-hydroxyphenyl)-2-propenyl ester
- capsiconiate
Capsiconiate Identification Summary Frequently Asked Questions (FAQs)
| What’s the formula of capsiconiate? |
|---|
| C20H28O4 |
| How many atoms and what are the elements in the capsiconiate molecule? |
| 52 atom(s) - 28 Hydrogen atom(s), 20 Carbon atom(s), and 4 Oxygen atom(s) |
| How many chemical bonds and what types of bonds are in the capsiconiate structure? |
| 52 bond(s) - 24 non-H bond(s), 9 multiple bond(s), 11 rotatable bond(s), 3 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 ester(s) (aliphatic), 1 aromatic hydroxyl(s), and 1 ether(s) (aromatic) |
| What’s the molar mass of capsiconiate? |
| 332.43392 g/mol |
| What’s the SMILES format of capsiconiate? |
| COc1cc(C=CCOC(=O)CCCCC=CC(C)C)ccc1O |
| What’s the InChI format of capsiconiate? |
| InChI=1S/C20H28O4/c1-16(2)9-6-4-5-7-11-20(22)24-14-8-10-17-12-13-18(21)19(15-17)23-3/h6,8-10,12-13,15-16,21H,4-5,7,11,14H2,1-3H3/b9-6+,10-8+ |
| What’s the InChIKey string of capsiconiate? |
| ZEWSMOFWZCBFSU-OAMUUVBCSA-N |
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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).