ChemSpider 2D Image | {5-[(2,2-Dimethylpropanoyl)oxy]-4-oxo-4H-pyran-2-yl}methyl 3,4,5-tris[(2,2-dimethylpropanoyl)oxy]benzoate | C33H42O12

{5-[(2,2-Dimethylpropanoyl)oxy]-4-oxo-4H-pyran-2-yl}methyl 3,4,5-tris[(2,2-dimethylpropanoyl)oxy]benzoate

  • Molecular FormulaC33H42O12
  • Average mass630.679 Da
  • Monoisotopic mass630.267639 Da
  • ChemSpider ID23110015

More details:

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

{5-[(2,2-Dimethylpropanoyl)oxy]-4-oxo-4H-pyran-2-yl}methyl 3,4,5-tris[(2,2-dimethylpropanoyl)oxy]benzoate [ACD/IUPAC Name]
{5-[(2,2-Dimethylpropanoyl)oxy]-4-oxo-4H-pyran-2-yl}methyl-3,4,5-tris[(2,2-dimethylpropanoyl)oxy]benzoat [German] [ACD/IUPAC Name]
3,4,5-Tris[(2,2-diméthylpropanoyl)oxy]benzoate de {5-[(2,2-diméthylpropanoyl)oxy]-4-oxo-4H-pyran-2-yl}méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3,4,5-tris(2,2-dimethyl-1-oxopropoxy)-, [5-(2,2-dimethyl-1-oxopropoxy)-4-oxo-4H-pyran-2-yl]methyl ester [ACD/Index Name]
3,4,5-Tris-(2,2-dimethyl-propionyloxy)-benzoic acid 5-(2,2-dimethyl-propionyloxy)-4-oxo-4H-pyran-2-ylmethyl ester

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

Density: 1.2±0.1 g/cm3
Boiling Point: 730.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.7±3.0 kJ/mol
Flash Point: 299.2±32.9 °C
Index of Refraction: 1.536
Molar Refractivity: 160.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 5.41
ACD/LogD (pH 5.5): 5.65
ACD/BCF (pH 5.5): 11610.78
ACD/KOC (pH 5.5): 28262.90
ACD/LogD (pH 7.4): 5.65
ACD/BCF (pH 7.4): 11610.78
ACD/KOC (pH 7.4): 28262.90
Polar Surface Area: 158 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 48.7±5.0 dyne/cm
Molar Volume: 513.6±5.0 cm3

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