Basic information
- CAS
20777-36-0- Standard SMILES
CC(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C- InChIKey
XHXUANMFYXWVNG-YUSALJHKSA-N- Molecular formula
- C12H22O2
- Average molar mass
- 198.3 g/mol
- Monoisotopic mass
- 198.16197994
Names & identifiers
- Preferred name
- Cyclohexanol, 5-methyl-2-(1-methylethyl)-, 1-acetate, (1R,2R,5R)-rel-
- IUPAC
- [(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] acetate
Names & synonyms
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, 1-acetate, (1R,2R,5R)-rel-Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1R,2R,5R)-rel-RefChem:580686Neoisomenthol acetate
Database identifiers
- CAS
20777-36-0- PubChem CID
- 88692
- Nikkaji
- J415.452E
Properties
Computed structural properties
- XLogP
- 3.6
- 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
- 198
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCyclohexanol, 5-methyl-2-(1-methylethyl)-, 1-acetate, (1R,2R,5R)-rel-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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