Basic information
- Standard SMILES
CC1(C)C(=O)CC(=O)CC1c1ccccc1- InChIKey
FDTRWJLJJZIELS-UHFFFAOYSA-N- Molecular formula
- C14H16O2
- Average molar mass
- 216.27 g/mol
- Monoisotopic mass
- 216.11502975
Names & identifiers
- Preferred name
- 4,4-Dimethyl-5-phenyl-1,3-cyclohexanedione
- IUPAC
- 4,4-dimethyl-5-phenylcyclohexane-1,3-dione
Names & synonyms
SCHEMBL10507213FDTRWJLJJZIELS-UHFFFAOYSA-N4,4-dimethyl-5-phenyl-1,3-cyclohexanedione
Database identifiers
- PubChem CID
- 11096019
- Nikkaji
- J1.684.723B
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 298
Related reactions
2 records
Compound notes
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