Cyclohexanone, 2,2-dimethyl-6-(phenylmethylene)-
Basic information
- CAS
17622-50-3- Standard SMILES
CC1(C)CCCC(=Cc2ccccc2)C1=O- InChIKey
USWYHRHBCQIVDR-UHFFFAOYSA-N- Molecular formula
- C15H18O
- Average molar mass
- 214.3 g/mol
- Monoisotopic mass
- 214.13576519
Names & identifiers
- Preferred name
- Cyclohexanone, 2,2-dimethyl-6-(phenylmethylene)-
- IUPAC
- 6-benzylidene-2,2-dimethylcyclohexan-1-one
- English name
- 2-Benzylidene-6,6-dimethylcyclohexanone
- Molecular formula
- C15H18O
- Molecular weight
- 214.3
Names & synonyms
Cyclohexanone, 2,2-dimethyl-6-(phenylmethylene)-17622-50-3DTXSID70344660Cyclohexanone, 6-benzylidene-2,2-dimethyl-RefChem:335538DTXCID80295735USWYHRHBCQIVDR-ACCUITESSA-N6-benzylidene-2,2-dimethylcyclohexan-1-oneSCHEMBL8160390USWYHRHBCQIVDR-UHFFFAOYSA-N2,2-Dimethyl-6-benzylidene-cyclohexanone6-Benzylidene-2,2-dimethylcyclohexanone
Show more names
2-Benzylidene-6,6-dimethylcyclohexanone
Database identifiers
- CAS
17622-50-3- PubChem CID
- 598624
- DTXSID
DTXSID70344660
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 293
Physicochemical properties
- Melting point
- 79.5 · 79.5-80 °C
- Boiling point
- 337.056 · 337.056±22.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.025 · 1.025±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Related reactions
2 records
Compound notes
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