Molecular Weight of Verdyl acetate (C12H16O2)
Identification of Verdyl acetate Chemical Compound
| Chemical Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.25424 g/mol |
| IUPAC Name | tricyclo[5.2.1.0^{2,6}]dec-3-en-8-yl acetate |
| SMILES String | CC(=O)OC1CC2CC1C3CC=CC23 |
| InChI | InChI=1S/C12H16O2/c1-7(13)14-12-6-8-5-11(12)10-4-2-3-9(8)10/h2-3,8-12H,4-6H2,1H3 |
| InChIKey | RGVQNSFGUOIKFF-UHFFFAOYSA-N |
Molecular Weight Description
The Verdyl acetate molecule consists of 16 Hydrogen atom(s), 12 Carbon atom(s), and 2 Oxygen atom(s) - a total of 30 atom(s). The molecular weight of Verdyl acetate is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 192.25424 · \frac{g}{mol} $$
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
- Smiles: CCO
- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Verdyl acetate Molecule
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Structure Data File (SDF/MOL File) of Verdyl acetate
The structure data file (SDF/MOL File) of Verdyl acetate is available for download in the SDF page of Verdyl acetate, which provides the information on atoms, bonds, connectivity and coordinates of Verdyl acetate. The Verdyl acetate 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 Verdyl acetate
The molecular structure image of Verdyl acetate is available in chemical structure page of Verdyl acetate, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in Verdyl acetate and the chemical bonds that hold the atoms together.
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Chemical formula of Verdyl acetate
The molecular formula of Verdyl acetate is given in chemical formula page of Verdyl acetate, 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 Verdyl acetate
In addition to the molecular weight information, the structural information of Verdyl acetate in a textual expression is available via InChi. The full standard InChI of Verdyl acetate is given below:
InChI=1S/C12H16O2/c1-7(13)14-12-6-8-5-11(12)10-4-2-3-9(8)10/h2-3,8-12H,4-6H2,1H3
It can provide a way to encode the molecular information of Verdyl acetate 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 Verdyl acetate is:
InChIKey=RGVQNSFGUOIKFF-UHFFFAOYSA-N
It may allow easier web searches for Verdyl acetate. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the Verdyl acetate as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Verdyl acetate
There may be different names of the Verdyl acetate compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- TRICYCLO[5.2.1.0(2),?]DEC-3-EN-8-YL ACETATE
- tricyclodecenyl acetate, dihydrodicyclopentadiene acetate
- Dihydro-nor-dicyclopentadienyl acetate
- AR-1L7213
- Greenyl acetate
- Jasmacyclen
- Herbaflorat
- 4,7-Methano-1H-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-, 6-acetate
- 3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-6-yl acetate
- W-105670
- tricyclo[5.2.1.02,6]dec-3-en-8-yl acetate
- 4,7-Methanoinden-6-ol, 3a,4,5,6,7,7a-hexahydro-, acetate
- 3a,4,5,6,7,7a-Hexahydro-4,7-methanoinden-6-yl acetate
- 4,7-Methano-1H-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-, acetate
- Dihydro-nordicyclopentadienyl acetate
- Tricyclodecen-4-yl 8-acetate
- Verdyl acetate
Verdyl acetate Identification Summary Frequently Asked Questions (FAQs)
| What’s the formula of Verdyl acetate? |
|---|
| C12H16O2 |
| How many atoms and what are the elements in the Verdyl acetate molecule? |
| 30 atom(s) - 16 Hydrogen atom(s), 12 Carbon atom(s), and 2 Oxygen atom(s) |
| How many chemical bonds and what types of bonds are in the Verdyl acetate structure? |
| 32 bond(s) - 16 non-H bond(s), 2 multiple bond(s), 2 rotatable bond(s), 2 double bond(s), 3 five-membered ring(s), 1 six-membered ring(s), 1 eight-membered ring(s), 1 nine-membered ring(s), and 1 ester(s) (aliphatic) |
| What’s the molar mass of Verdyl acetate? |
| 192.25424 g/mol |
| What’s the SMILES format of Verdyl acetate? |
| CC(=O)OC1CC2CC1C3CC=CC23 |
| What’s the InChI format of Verdyl acetate? |
| InChI=1S/C12H16O2/c1-7(13)14-12-6-8-5-11(12)10-4-2-3-9(8)10/h2-3,8-12H,4-6H2,1H3 |
| What’s the InChIKey string of Verdyl acetate? |
| RGVQNSFGUOIKFF-UHFFFAOYSA-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).