Basic information
- CAS
50874-76-5- Standard SMILES
CC1CCCC(=O)C1(C)C- InChIKey
XPZBNIUWMDJFPW-UHFFFAOYSA-N- Molecular formula
- C9H16O
- Average molar mass
- 140.22 g/mol
- Monoisotopic mass
- 140.12011513
Names & identifiers
- Preferred name
- Cyclohexanone, trimethyl-
- IUPAC
- 2,2,3-trimethylcyclohexan-1-one
Names & synonyms
Cyclohexanone, trimethyl-2,2,3-trimethylcyclohexan-1-one50874-76-5trimethyl-cyclohexanoneSCHEMBL183432DTXSID50965110XPZBNIUWMDJFPW-UHFFFAOYSA-N
Database identifiers
- CAS
50874-76-5- PubChem CID
- 3016570
- DTXSID
DTXSID50965110
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 147
Related reactions
5 records
Compound notes
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