5,5-Dimethyl-3-(4-cyanophenyl)cyclohex-2-en-1-one
4-(5,5-dimethyl-3-oxocyclohexen-1-yl)benzonitrile
Also Known As: 5,5-Dimethyl-3-(4-cyanophenyl)cyclohex-2-en-1-one|5,5-Dimethyl-3-(4-cyanophenyl)cyclohex-2-enone|4-(5,5-dimethyl-3-oxocyclohexen-1-yl)benzonitrile|5,5-Dimethyl-3-(4-cyanophenyl)-cyclohex-2-en-1-one|Benzonitrile,4-(5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)-|3',3'-Dimethyl-5'-oxo-2',3',4',5'-tetrahydro[1,1'-biphenyl]-4-carbonitrile
CAS: 72036-56-7
| Molecular Formula | C15H15NO |
|---|---|
| Molecular Weight | 225.11537 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.11537 |
| Monoisotopic Mass | 225.11537 |
| Heavy Atoms | 17 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 72036-56-7 |
|---|---|
| SMILES | CC1(CC(=CC(=O)C1)C2=CC=C(C=C2)C#N)C |
| InChIKey | HQFHRYXMAZCIEF-UHFFFAOYSA-N |
Product Overview
5,5-Dimethyl-3-(4-cyanophenyl)cyclohex-2-en-1-one (CAS 72036-56-7), with molecular formula C15H15NO and molecular weight 225.11537 g/mol. IUPAC: 4-(5,5-dimethyl-3-oxocyclohexen-1-yl)benzonitrile.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
5,5-Dimethyl-3-(4-cyanophenyl)cyclohex-2-en-1-one is a custom synthesis product. We offer services from milligram to kilogram scale.
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