2,6-Bis((2-methylphenyl)methylene)cyclohexan-1-one
Basic information
- CAS
85391-70-4- Standard SMILES
Cc1ccccc1/C=C1\CCC/C(=C\c2ccccc2C)C1=O- InChIKey
UTIHSBHVGKPGEM-OZNQKUEASA-N- Molecular formula
- C22H22O
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.16706532
Names & identifiers
- Preferred name
- 2,6-Bis((2-methylphenyl)methylene)cyclohexan-1-one
- IUPAC
- (2E,6E)-2,6-bis[(2-methylphenyl)methylidene]cyclohexan-1-one
Names & synonyms
EINECS 286-826-42,6-Bis((2-methylphenyl)methylene)cyclohexan-1-one(2E,6E)-2,6-bis[(2-methylphenyl)methylidene]cyclohexan-1-one2,6-bis(2-methylbenzylidene)cyclohexanoneSCHEMBL19050160MFCD02326342AKOS001494473AN-308/15495076
Database identifiers
- CAS
85391-70-4- PubChem CID
- 6509799
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 442
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Compound notes
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