ChemSpider 2D Image | Benzyl (3beta)-3-(butyryloxy)olean-12-en-28-oate | C41H60O4

Benzyl (3β)-3-(butyryloxy)olean-12-en-28-oate

  • Molecular FormulaC41H60O4
  • Average mass616.913 Da
  • Monoisotopic mass616.449158 Da
  • ChemSpider ID34538262

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β)-3-(Butyryloxy)oléan-12-én-28-oate de benzyle [French] [ACD/IUPAC Name]
Benzyl (3β)-3-(butyryloxy)olean-12-en-28-oate [ACD/IUPAC Name]
Benzyl-(3β)-3-(butyryloxy)olean-12-en-28-oat [German] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3-(1-oxobutoxy)-, phenylmethyl ester, (3β)- [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: 636.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.0±3.0 kJ/mol
Flash Point: 304.4±29.9 °C
Index of Refraction: 1.554
Molar Refractivity: 182.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 13.23
ACD/LogD (pH 5.5): 12.27
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.27
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 53 Å2
Polarizability: 72.1±0.5 10-24cm3
Surface Tension: 44.1±5.0 dyne/cm
Molar Volume: 567.6±5.0 cm3

Click to predict properties on the Chemicalize site


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