Basic information
- Standard SMILES
CC1(C)CCC(O)CC1C#N- InChIKey
VQPVLTFJYJAKIP-UHFFFAOYSA-N- Molecular formula
- C9H15NO
- Average molar mass
- 153.22 g/mol
Names & identifiers
- Preferred name
- 3-Cyano-4,4-dimethylcyclohexanol
- IUPAC
- 5-hydroxy-2,2-dimethylcyclohexane-1-carbonitrile
Names & synonyms
SCHEMBL54078263-cyano-4,4-dimethylcyclohexanol
Database identifiers
- PubChem CID
- 22933772
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 44 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 189
Related reactions
2 records
Compound notes
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