(2E,6E)-4-ethyl-2,6-bis[(4-methoxyphenyl)methylidene]cyclohexan-1-one

• ChemBase ID: 191827
• Molecular Formular: C24H26O3
• Molecular Mass: 362.46144
• Monoisotopic Mass: 362.18819469
• SMILES: C\1(=C\c2ccc(cc2)OC)/C(=O)/C(=C/c2ccc(cc2)OC)/CC(C1)CC
• Canonical SMILES: CCC1C/C(=C\c2ccc(cc2)OC)/C(=O)/C(=C/c2ccc(cc2)OC)/C1
• InChI: InChI=1S/C24H26O3/c1-4-17-13-20(15-18-5-9-22(26-2)10-6-18)24(25)21(14-17)16-19-7-11-23(27-3)12-8-19/h5-12,15-17H,4,13-14H2,1-3H3/b20-15+,21-16+
• InChIKey: QBBXWGXXNFIASD-YJKAXRSRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2E,6E)-4-ethyl-2,6-bis[(4-methoxyphenyl)methylidene]cyclohexan-1-one
• IUPAC Traditional name: (2E,6E)-4-ethyl-2,6-bis[(4-methoxyphenyl)methylidene]cyclohexan-1-one

Database IDs

• PubChem SID: 164247737
• PubChem CID: 5762103

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.013333
• LogD (pH = 7.4): 6.013333
• Log P: 6.013333
• Molar Refractivity: 110.6162 cm^3
• Polarizability: 42.407436 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds