2,2-Dimethyl-5-phenylcyclohexane-1,3-dione
Basic information
- CAS
5434-98-0- Standard SMILES
CC1(C)C(=O)CC(c2ccccc2)CC1=O- InChIKey
ODRSGCGKRLSTAM-UHFFFAOYSA-N- Molecular formula
- C14H16O2
- Average molar mass
- 216.27 g/mol
- Monoisotopic mass
- 216.11502975
Names & identifiers
- Preferred name
- 2,2-Dimethyl-5-phenylcyclohexane-1,3-dione
- IUPAC
- 2,2-dimethyl-5-phenylcyclohexane-1,3-dione
Names & synonyms
2,2-dimethyl-5-phenylcyclohexane-1,3-dione5434-98-0NSC15151DTXSID30280035NSC-15151AS-0308
Database identifiers
- CAS
5434-98-0- PubChem CID
- 225583
- DTXSID
DTXSID30280035- Nikkaji
- J3.231.593C
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
- 278
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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