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

3-Methyl-5-oxo-5-(3,4,5-trimethoxyphenyl)pentanoic acid

  • Molecular FormulaC15H20O6
  • Average mass296.316 Da
  • Monoisotopic mass296.125977 Da
  • ChemSpider ID21401993

More details:

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

3-Methyl-5-oxo-5-(3,4,5-trimethoxyphenyl)pentanoic acid [ACD/IUPAC Name]
3-Methyl-5-oxo-5-(3,4,5-trimethoxyphenyl)pentansäure [German] [ACD/IUPAC Name]
Acide 3-méthyl-5-oxo-5-(3,4,5-triméthoxyphényl)pentanoïque [French] [ACD/IUPAC Name]
Benzenepentanoic acid, 3,4,5-trimethoxy-β-methyl-δ-oxo- [ACD/Index Name]
101499-91-6 [RN]
3-Methyl-5-oxo-5-(3,4,5-trimethoxyphenyl)valeric acid
MFCD09801854 [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: 471.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.4±3.0 kJ/mol
Flash Point: 172.0±22.2 °C
Index of Refraction: 1.513
Molar Refractivity: 76.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 1.83
ACD/KOC (pH 5.5): 29.31
ACD/LogD (pH 7.4): -0.86
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: 40.5±3.0 dyne/cm
Molar Volume: 254.0±3.0 cm3

Click to predict properties on the Chemicalize site


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