2-(2-methylprop-1-en-1-yl)-1,5-diphenyl-3-(propan-2-yl)pentane-1,5-dione

• ChemBase ID: 181374
• Molecular Formular: C24H28O2
• Molecular Mass: 348.47792
• Monoisotopic Mass: 348.20893014
• SMILES: C(C(=O)c1ccccc1)(C(CC(=O)c1ccccc1)C(C)C)C=C(C)C
• Canonical SMILES: CC(=CC(C(=O)c1ccccc1)C(C(C)C)CC(=O)c1ccccc1)C
• InChI: InChI=1S/C24H28O2/c1-17(2)15-22(24(26)20-13-9-6-10-14-20)21(18(3)4)16-23(25)19-11-7-5-8-12-19/h5-15,18,21-22H,16H2,1-4H3
• InChIKey: XVTZCXVAUIOBQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methylprop-1-en-1-yl)-1,5-diphenyl-3-(propan-2-yl)pentane-1,5-dione
• IUPAC Traditional name: 3-isopropyl-2-(2-methylprop-1-en-1-yl)-1,5-diphenylpentane-1,5-dione

Database IDs

• PubChem SID: 164237284
• PubChem CID: 570760

CALCULATED PROPERTIES

• Acid pKa: 15.1671915
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.886734
• LogD (pH = 7.4): 5.886734
• Log P: 5.886734
• Molar Refractivity: 108.6455 cm^3
• Polarizability: 41.94137 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds