(1R,2R,4R)-4-propan-2-ylcyclohexane-1,2-diol
Basic information
- CAS
115700-01-1- Standard SMILES
CC(C)[C@@H]1CC[C@@H](O)[C@H](O)C1- InChIKey
HDZAVNDKDZOKDX-IWSPIJDZSA-N- Molecular formula
- C9H18O2
- Average molar mass
- 158.24 g/mol
Names & identifiers
- Preferred name
- (1R,2R,4R)-4-propan-2-ylcyclohexane-1,2-diol
- IUPAC
- (1R,2R,4R)-4-propan-2-ylcyclohexane-1,2-diol
- English name
- 1,2-Cyclohexanediol,4-(1-methylethyl)-,(1alpha,2bta,4bta)-(9CI)
- Molecular formula
- C9H18O2
- Molecular weight
- 158.24
Names & synonyms
1,2-Cyclohexanediol,4-(1-methylethyl)-,(1alpha,2bta,4bta)-(9CI)
Database identifiers
- CAS
115700-01-1
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 123
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Compound notes
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