ChemSpider 2D Image | 1-(1,3-Benzodioxol-5-yl)-4-oxo-4-(3,4,5-trimethoxyphenyl)-2-butanyl acetate | C22H24O8

1-(1,3-Benzodioxol-5-yl)-4-oxo-4-(3,4,5-trimethoxyphenyl)-2-butanyl acetate

  • Molecular FormulaC22H24O8
  • Average mass416.421 Da
  • Monoisotopic mass416.147125 Da
  • ChemSpider ID35517485

More details:

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

1-(1,3-Benzodioxol-5-yl)-4-oxo-4-(3,4,5-trimethoxyphenyl)-2-butanyl acetate [ACD/IUPAC Name]
1-(1,3-Benzodioxol-5-yl)-4-oxo-4-(3,4,5-trimethoxyphenyl)-2-butanyl-acetat [German] [ACD/IUPAC Name]
1-Butanone, 3-(acetyloxy)-4-(1,3-benzodioxol-5-yl)-1-(3,4,5-trimethoxyphenyl)- [ACD/Index Name]
Acétate de 1-(1,3-benzodioxol-5-yl)-4-oxo-4-(3,4,5-triméthoxyphényl)-2-butanyle [French] [ACD/IUPAC Name]
1-(1,3-benzodioxol-5-yl)-4-oxo-4-(3,4,5-trimethoxyphenyl)butan-2-yl acetate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 581.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.9±3.0 kJ/mol
Flash Point: 252.3±30.2 °C
Index of Refraction: 1.554
Molar Refractivity: 107.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 195.01
ACD/KOC (pH 5.5): 1516.48
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 195.01
ACD/KOC (pH 7.4): 1516.48
Polar Surface Area: 90 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 334.7±3.0 cm3

Click to predict properties on the Chemicalize site


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