Basic information
- CAS
68391-64-0- Standard SMILES
CC1CC(C(C)C)CCC1=O- InChIKey
PSNQKTODENQMIO-UHFFFAOYSA-N- Molecular formula
- C10H18O
- Average molar mass
- 154.25 g/mol
- Monoisotopic mass
- 154.13576519
Names & identifiers
- Preferred name
- Cyclohexanone, methyl(1-methylethyl)-
- IUPAC
- 2-methyl-4-propan-2-ylcyclohexan-1-one
Names & synonyms
Cyclohexanone, methyl(1-methylethyl)-RefChem:58074568391-64-02-Methyl-4-(propan-2-yl)cyclohexan-1-oneSCHEMBL20502649DTXSID10987954PSNQKTODENQMIO-UHFFFAOYSA-N4-isopropyl-2-methyl-cyclohexanoneAKOS0120318721538-18-7
Database identifiers
- CAS
68391-64-0- PubChem CID
- 109331
- DTXSID
DTXSID10987954- Nikkaji
- J1.179.634F
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 149
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCyclohexanone, methyl(1-methylethyl)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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