Basic information
- CAS
51940-65-9- Standard SMILES
CC1(C)CC(=O)C(CC(=O)c2ccccc2)=C(O)C1- InChIKey
UUOCCJUWBXCDQE-UHFFFAOYSA-N- Molecular formula
- C16H18O3
- Average molar mass
- 258.31 g/mol
- Monoisotopic mass
- 258.12559443
Names & identifiers
- Preferred name
- 3-Hydroxy-5,5-dimethyl-2-(2-oxo-2-phenylethyl)-2-cyclohexen-1-one
- IUPAC
- 3-hydroxy-5,5-dimethyl-2-phenacylcyclohex-2-en-1-one
Names & synonyms
3-Hydroxy-5,5-dimethyl-2-(2-oxo-2-phenylethyl)-2-cyclohexen-1-one51940-65-9RefChem:279884DTXSID6011673203-hydroxy-5,5-dimethyl-2-(2-oxo-2-phenylethyl)cyclohex-2-en-1-oneAKOS001429888UPCMLD0ENAT5971263:001Z235351457
Database identifiers
- CAS
51940-65-9- PubChem CID
- 4580967
- DTXSID
DTXSID601167320
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 412
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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