ChemSpider 2D Image | 2,2-Dimethyl-4-oxo-4-(3,4,5-trimethoxyphenyl)butanoic acid | C15H20O6

2,2-Dimethyl-4-oxo-4-(3,4,5-trimethoxyphenyl)butanoic acid

  • Molecular FormulaC15H20O6
  • Average mass296.316 Da
  • Monoisotopic mass296.125977 Da
  • ChemSpider ID21401992

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2,2-Dimethyl-4-oxo-4-(3,4,5-trimethoxyphenyl)butanoic acid [ACD/IUPAC Name]
2,2-Dimethyl-4-oxo-4-(3,4,5-trimethoxyphenyl)butansäure [German] [ACD/IUPAC Name]
Acide 2,2-diméthyl-4-oxo-4-(3,4,5-triméthoxyphényl)butanoïque [French] [ACD/IUPAC Name]
Benzenebutanoic acid, 3,4,5-trimethoxy-α,α-dimethyl-γ-oxo- [ACD/Index Name]
2,2-DIMETHYL-4-OXO-4-(3,4,5-TRIMETHOXYPHENYL)BUTYRIC ACID
951893-89-3 [RN]
MFCD09801853 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 456.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.5±3.0 kJ/mol
Flash Point: 165.5±22.2 °C
Index of Refraction: 1.514
Molar Refractivity: 76.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.10
ACD/LogD (pH 5.5): 0.92
ACD/BCF (pH 5.5): 1.67
ACD/KOC (pH 5.5): 25.68
ACD/LogD (pH 7.4): -0.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 82 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 253.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement