Basic information
- CAS
68406-89-3- Standard SMILES
CC(=O)OCC1=C(C)CCCC1(C)C- InChIKey
FTIUTTJEFHWCSA-UHFFFAOYSA-N- Molecular formula
- C12H20O2
- Average molar mass
- 196.29 g/mol
- Monoisotopic mass
- 196.14632988
Names & identifiers
- Preferred name
- 2,6,6-Trimethylcyclohexenemethyl acetate
- IUPAC
- (2,6,6-trimethylcyclohexen-1-yl)methyl acetate
Names & synonyms
2,6,6-Trimethylcyclohexenemethyl acetate.alpha.-Cyclogeraniol, acetateEINECS 301-386-694020-91-468406-89-3EINECS 270-056-0AI3-372292,6,6-Trimethylcyclohex-1-ene-1-methyl acetateDTXSID60240223(2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)METHYL ACETATENS000398881-Cyclohexene-1-methanol, 2,6,6-trimethyl-, acetate
Database identifiers
- CAS
68406-89-3、94020-91-4- PubChem CID
- 524247
- DTXSID
DTXSID60240223- EC Number
- 270-056-0、301-386-6
- Nikkaji
- J332.512A
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 261
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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