ChemSpider 2D Image | Methyl 3-oxooleana-1,12-dien-28-oate | C31H46O3

Methyl 3-oxooleana-1,12-dien-28-oate

  • Molecular FormulaC31H46O3
  • Average mass466.695 Da
  • Monoisotopic mass466.344696 Da
  • ChemSpider ID28481055

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

3-Oxooléana-1,12-dién-28-oate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-oxooleana-1,12-dien-28-oate [ACD/IUPAC Name]
Methyl-3-oxooleana-1,12-dien-28-oat [German] [ACD/IUPAC Name]
Oleana-1,12-dien-28-oic acid, 3-oxo-, 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: 528.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.3±3.0 kJ/mol
Flash Point: 220.3±30.2 °C
Index of Refraction: 1.547
Molar Refractivity: 136.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 8.61
ACD/LogD (pH 5.5): 8.46
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 957406.25
ACD/LogD (pH 7.4): 8.46
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 957406.25
Polar Surface Area: 43 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 41.8±5.0 dyne/cm
Molar Volume: 432.0±5.0 cm3

Click to predict properties on the Chemicalize site


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