Basic information
- Standard SMILES
C[C@H]1CC[C@H](C(=O)O)[C@@H](C)C1- InChIKey
KIRAMNZKGBLPTF-FXQIFTODSA-N- Molecular formula
- C9H16O2
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.11502975
Names & identifiers
- Preferred name
- (1S,2S,4S)-2,4-dimethylcyclohexanecarboxylic acid
- IUPAC
- (1S,2S,4S)-2,4-dimethylcyclohexane-1-carboxylic acid
Names & synonyms
SCHEMBL14645136KIRAMNZKGBLPTF-FXQIFTODSA-N(1S,2S,4S)-2,4-dimethylcyclohexanecarboxylic acid
Database identifiers
- PubChem CID
- 917402
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 154
Related reactions
2 records
Compound notes
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