Basic information
- CAS
72746-41-9- Standard SMILES
CCCC[C@H]1CCCC(=O)C1- InChIKey
ORIINXCHZXECLA-VIFPVBQESA-N- Molecular formula
- C10H18O
- Average molar mass
- 154.25 g/mol
- Monoisotopic mass
- 154.1357652
Names & identifiers
- Preferred name
- (S)-3-n-butylcyclohexanone
- IUPAC
- (3S)-3-butylcyclohexan-1-one
Names & synonyms
(S)-3-n-butylcyclohexanone72746-41-9DTXSID50452035RefChem:211089DTXCID10402854(3S)-3-butylcyclohexan-1-oneSCHEMBL6516575ORIINXCHZXECLA-VIFPVBQESA-N
Database identifiers
- CAS
72746-41-9- PubChem CID
- 11019082
- DTXSID
DTXSID50452035- Nikkaji
- J659.707F
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 129
Related reactions
1 records
Compound notes
Loading…