Basic information
- CAS
74499-53-9- Standard SMILES
CC(C)=CC(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C- InChIKey
KGPJMTFDHBCYTJ-MELADBBJSA-N- Molecular formula
- C15H26O2
- Average molar mass
- 238.37 g/mol
- Monoisotopic mass
- 238.19328007
Names & identifiers
- Preferred name
- 2-Butenoic acid, 3-methyl-, (1R,2S,5S)-5-methyl-2-(1-methylethyl)cyclohexyl ester, rel-
- IUPAC
- [(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] 3-methylbut-2-enoate
Names & synonyms
Isomenthyl 3-methyl-2-butenoate2-Butenoic acid, 3-methyl-, (1R,2S,5S)-5-methyl-2-(1-methylethyl)cyclohexyl ester, rel-74499-53-9DTXSID20888448RefChem:468028DTXCID401027726KGPJMTFDHBCYTJ-MELADBBJSA-N(1R,2S,5S)-5-methyl-2-(propan-2-yl)cyclohexyl 3-methylbut-2-enoate
Database identifiers
- CAS
74499-53-9- PubChem CID
- 44153285
- DTXSID
DTXSID20888448- Nikkaji
- J447.763D
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 287
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Butenoic acid, 3-methyl-, (1R,2S,5S)-5-methyl-2-(1-methylethyl)cyclohexyl ester, rel-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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