Formula 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 |
Chemical Formula Description
The Verdyl acetate molecule contains a total of 30 atom(s). There are 16 Hydrogen atom(s), 12 Carbon atom(s), and 2 Oxygen atom(s). A chemical formula of Verdyl acetate can therefore be written as:
C12H16O2
The chemical formula of Verdyl acetate shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.
The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.
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- 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 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 providing the information about the atoms, bonds, connectivity and coordinates of Verdyl acetate, which is not completely available in the chemical formula representation. The Verdyl acetate structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of Verdyl acetate
The chemical structure image of Verdyl acetate is available in chemical structure page of Verdyl acetate, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of Verdyl acetate and the chemical bonds that hold the atoms together.
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Molecular weight of Verdyl acetate
The molecular weight of Verdyl acetate is available in molecular weight page of Verdyl acetate, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element specified in the chemical formula of Verdyl acetate.
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InChI (IUPAC International Chemical Identifier) information of Verdyl acetate
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of Verdyl acetate is:
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 standard 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
The InChIKey may allow easier web searches for Verdyl acetate, but it needs to be linked to the full InChI to get back to the original structure of the Verdyl acetate since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Verdyl acetate
The Verdyl acetate compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of Verdyl acetate including the registry numbers is given below, 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 chemical formula of Verdyl acetate? |
|---|
| C12H16O2 |
| How many atoms and what are they in the Verdyl acetate structure? |
| 30 atom(s) - 16 Hydrogen atom(s), 12 Carbon atom(s), and 2 Oxygen atom(s) |
| How many chemical bonds and what are they 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 molecular weight of Verdyl acetate? |
| 192.25424 g/mol |
| What’s the SMILES string of Verdyl acetate? |
| CC(=O)OC1CC2CC1C3CC=CC23 |
| What’s the InChI 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 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).