SDF/Mol File 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 |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of Verdyl acetate is available for download. Click the link below to start downloading.
Download structure data file (SDF/MOL File)
The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of Verdyl acetate molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.
The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.
Search Another SDF·MOL File
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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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Chemical structure of Verdyl acetate
By visualizing the structure data file (SDF/MOL File) above, 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 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 masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of Verdyl acetate
The chemical 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
An alternative way of expressing structural information in text format 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 be named differently depending on the various situations of industrial applications. Other names (synonyms) of Verdyl acetate including the registry numbers are listed 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 Verdyl acetate formula? |
|---|
| C12H16O2 |
| How many atoms and what elements are included 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 kind 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 Verdyl acetate’s molar mass? |
| 192.25424 g/mol |
| What’s the SMILES structure of Verdyl acetate? |
| CC(=O)OC1CC2CC1C3CC=CC23 |
| What’s the InChI code 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 format 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).