Ethyl 2,6,6-trimethyl-2-cyclohexene-1-carboxylate
Basic information
- CAS
96849-99-9- Standard SMILES
CCOC(=O)C1C(C)=CCCC1(C)C- InChIKey
UMXBKVFQEPMZTB-UHFFFAOYSA-N- Molecular formula
- C12H20O2
- Average molar mass
- 196.29 g/mol
- Monoisotopic mass
- 196.14632988
Names & identifiers
- Preferred name
- Ethyl 2,6,6-trimethyl-2-cyclohexene-1-carboxylate
- IUPAC
- ethyl 2,6,6-trimethylcyclohex-2-ene-1-carboxylate
Names & synonyms
96849-99-9Ethyl 2,6,6-trimethyl-2-cyclohexene-1-carboxylateDTXSID20336636RefChem:342264DTXCID10287724ethyl 2,6,6-trimethylcyclohex-2-ene-1-carboxylateSCHEMBL10648071UMXBKVFQEPMZTB-UHFFFAOYSA-NEthyl 2,6,6-trimethyl-2-cyclohexene-1-carboxylate #2,6,6-trimethyl-cyclohex-2-ene-1-carboxylic acid ethyl ester2-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, ethyl ester, .+/-.-
Database identifiers
- CAS
96849-99-9- PubChem CID
- 535097
- DTXSID
DTXSID20336636
Properties
Computed structural properties
- XLogP
- 3
- 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
- 251
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Compound notes
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