ChemSpider 2D Image | (3beta)-3-{[Dimethyl(2-methyl-2-propanyl)silyl]oxy}oleana-11,13(18)-dien-28-yl benzoate | C43H66O3Si

(3β)-3-{[Dimethyl(2-methyl-2-propanyl)silyl]oxy}oleana-11,13(18)-dien-28-yl benzoate

  • Molecular FormulaC43H66O3Si
  • Average mass659.068 Da
  • Monoisotopic mass658.478149 Da
  • ChemSpider ID9225781

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3β)-3-{[Dimethyl(2-methyl-2-propanyl)silyl]oxy}oleana-11,13(18)-dien-28-yl benzoate [ACD/IUPAC Name]
(3β)-3-{[Dimethyl(2-methyl-2-propanyl)silyl]oxy}oleana-11,13(18)-dien-28-yl-benzoat [German] [ACD/IUPAC Name]
Benzoate de (3β)-3-{[diméthyl(2-méthyl-2-propanyl)silyl]oxy}oléana-11,13(18)-dién-28-yle [French] [ACD/IUPAC Name]
Oleana-11,13(18)-dien-28-ol, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, benzoate, (3β)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 644.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 285.5±27.0 °C
Index of Refraction: 1.545
Molar Refractivity: 199.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 15.18
ACD/LogD (pH 5.5): 14.26
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.26
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 36 Å2
Polarizability: 79.1±0.5 10-24cm3
Surface Tension: 39.3±5.0 dyne/cm
Molar Volume: 631.2±5.0 cm3

Click to predict properties on the Chemicalize site


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