ChemSpider 2D Image | (3beta)-Cholest-5-en-3-yl 2-(4-isobutylphenyl)propanoate | C40H62O2

(3β)-Cholest-5-en-3-yl 2-(4-isobutylphenyl)propanoate

  • Molecular FormulaC40H62O2
  • Average mass574.919 Da
  • Monoisotopic mass574.474976 Da
  • ChemSpider ID154918

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(3β)-Cholest-5-en-3-yl 2-(4-isobutylphenyl)propanoate [ACD/IUPAC Name]
(3β)-Cholest-5-en-3-yl-2-(4-isobutylphenyl)propanoat [German] [ACD/IUPAC Name]
154394-15-7 [RN]
2-(4-Isobutylphényl)propanoate de (3β)-cholest-5-én-3-yle [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-methyl-4-(2-methylpropyl)-, (3β)-cholest-5-en-3-yl ester [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: 623.2±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.3±3.0 kJ/mol
Flash Point: 330.2±13.2 °C
Index of Refraction: 1.536
Molar Refractivity: 177.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 14.71
ACD/LogD (pH 5.5): 13.02
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.02
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 70.3±0.5 10-24cm3
Surface Tension: 40.0±5.0 dyne/cm
Molar Volume: 568.7±5.0 cm3

Click to predict properties on the Chemicalize site


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