(1S,2R,5R)-2-Methyl-5-(prop-1-en-2-yl)cyclohexyl acetate
Basic information
- CAS
57237-40-8- Standard SMILES
C=C(C)[C@@H]1CC[C@@H](C)[C@@H](OC(C)=O)C1- InChIKey
TUSIZTVSUSBSQI-JLLWLGSASA-N- Molecular formula
- C12H20O2
- Average molar mass
- 196.29 g/mol
- Monoisotopic mass
- 196.14632988
Names & identifiers
- Preferred name
- (1S,2R,5R)-2-Methyl-5-(prop-1-en-2-yl)cyclohexyl acetate
- IUPAC
- [(1S,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexyl] acetate
Names & synonyms
TUSIZTVSUSBSQI-JLLWLGSASA-NDTXSID201383607(1S,2R,5R)-2-Methyl-5-(prop-1-en-2-yl)cyclohexyl acetate57237-40-8
Database identifiers
- CAS
57237-40-8- PubChem CID
- 7058095
- DTXSID
DTXSID201383607
Properties
Computed structural properties
- XLogP
- 3.5
- 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
- 232
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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