ChemSpider 2D Image | (3beta,8xi,9xi,14xi,17xi,20xi)-Cholest-5-en-3-yl octanoate | C35H60O2

(3β,8ξ,9ξ,14ξ,17ξ,20ξ)-Cholest-5-en-3-yl octanoate

  • Molecular FormulaC35H60O2
  • Average mass512.850 Da
  • Monoisotopic mass512.459351 Da
  • ChemSpider ID24751247

  • defined stereocentres - 3 of 8 defined stereocentres

More details:

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

(3β,8ξ,9ξ,14ξ,17ξ,20ξ)-Cholest-5-en-3-yl octanoate [ACD/IUPAC Name]
(3β,8ξ,9ξ,14ξ,17ξ,20ξ)-Cholest-5-en-3-yl-octanoat [German] [ACD/IUPAC Name]
Octanoate de (3β,8ξ,9ξ,14ξ,17ξ,20ξ)-cholest-5-én-3-yle [French] [ACD/IUPAC Name]
Octanoic acid, (3β,8ξ,9ξ,14ξ,17ξ,20ξ)-cholest-5-en-3-yl ester [ACD/Index Name]
(5S,2R,15R)-14-(1,5-dimethylhexyl)-2,15-dimethyltetracyclo[8.7.0.0<2,7>.0<11,1 5>]heptadec-7-en-5-yl octanoate
(5S,2R,15R)-14-(1,5-dimethylhexyl)-2,15-dimethyltetracyclo[8.7.0.0<2,7>.0<11,15>]heptadec-7-en-5-yl octanoate

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

Density: 1.0±0.1 g/cm3
Boiling Point: 565.0±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.9±3.0 kJ/mol
Flash Point: 293.7±11.8 °C
Index of Refraction: 1.510
Molar Refractivity: 157.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 13.89
ACD/LogD (pH 5.5): 12.36
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.36
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 37.6±5.0 dyne/cm
Molar Volume: 525.8±5.0 cm3

Click to predict properties on the Chemicalize site


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