Basic information
- Standard SMILES
CCCCCCCC1(C#N)CCC(C2CCC(O)CC2)CC1- InChIKey
XNNFBQWXKGMLCK-UHFFFAOYSA-N- Molecular formula
- C20H35NO
- Average molar mass
- 305.5 g/mol
Names & identifiers
- Preferred name
- 4-Cyano-4-heptyl-4'-hydroxybicyclohexane
- IUPAC
- 1-heptyl-4-(4-hydroxycyclohexyl)cyclohexane-1-carbonitrile
Names & synonyms
SCHEMBL9757899XNNFBQWXKGMLCK-UHFFFAOYSA-N4-cyano-4-heptyl-4'-hydroxybicyclohexane
Database identifiers
- PubChem CID
- 20076154
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 44 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 353
Related reactions
2 records
Compound notes
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