ChemSpider 2D Image | (3beta)-3-[(9E)-9-Octadecen-1-yloxy]cholest-5-ene | C45H80O

(3β)-3-[(9E)-9-Octadecen-1-yloxy]cholest-5-ene

  • Molecular FormulaC45H80O
  • Average mass637.116 Da
  • Monoisotopic mass636.620911 Da
  • ChemSpider ID4943055

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β)-3-[(9E)-9-Octadecen-1-yloxy]cholest-5-en [German] [ACD/IUPAC Name]
(3β)-3-[(9E)-9-Octadecen-1-yloxy]cholest-5-ene [ACD/IUPAC Name]
(3β)-3-[(9E)-9-Octadécén-1-yloxy]cholest-5-ène [French] [ACD/IUPAC Name]
Cholest-5-ene, 3-[(9E)-9-octadecen-1-yloxy]-, (3β)- [ACD/Index Name]
Cholest-5-ene, 3-(9-octadecenyloxy)-, (3β(E))-
cholesteryl elaidyl ether

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

Density: 0.9±0.1 g/cm3
Boiling Point: 670.6±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 366.7±24.2 °C
Index of Refraction: 1.508
Molar Refractivity: 203.4±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 2
ACD/LogP: 19.02
ACD/LogD (pH 5.5): 17.02
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 17.02
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 9 Å2
Polarizability: 80.7±0.5 10-24cm3
Surface Tension: 37.1±5.0 dyne/cm
Molar Volume: 682.9±5.0 cm3

Click to predict properties on the Chemicalize site


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