ChemSpider 2D Image | 28-Methoxy-28-oxoolean-12-en-3-yl methyl adipate | C38H60O6

28-Methoxy-28-oxoolean-12-en-3-yl methyl adipate

  • Molecular FormulaC38H60O6
  • Average mass612.879 Da
  • Monoisotopic mass612.438965 Da
  • ChemSpider ID8779176

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

28-Methoxy-28-oxoolean-12-en-3-yl methyl adipate [ACD/IUPAC Name]
28-Methoxy-28-oxoolean-12-en-3-yl-methyladipat [German] [ACD/IUPAC Name]
Adipate de 28-méthoxy-28-oxooléan-12-én-3-yle et de méthyle [French] [ACD/IUPAC Name]
Hexanedioic acid, 28-methoxy-28-oxoolean-12-en-3-yl methyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 618.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 249.3±31.5 °C
Index of Refraction: 1.530
Molar Refractivity: 173.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 11.27
ACD/LogD (pH 5.5): 10.64
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.64
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 68.6±0.5 10-24cm3
Surface Tension: 43.0±5.0 dyne/cm
Molar Volume: 560.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement