ChemSpider 2D Image | (3beta)-3-(Octadecyloxy)lup-20(29)-ene | C48H86O

(3β)-3-(Octadecyloxy)lup-20(29)-ene

  • Molecular FormulaC48H86O
  • Average mass679.196 Da
  • Monoisotopic mass678.667847 Da
  • ChemSpider ID8969958

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β)-3-(Octadecyloxy)lup-20(29)-en [German] [ACD/IUPAC Name]
(3β)-3-(Octadecyloxy)lup-20(29)-ene [ACD/IUPAC Name]
(3β)-3-(Octadécyloxy)lup-20(29)-ène [French] [ACD/IUPAC Name]
Lup-20(29)-ene, 3-(octadecyloxy)-, (3β)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 671.7±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 367.4±18.6 °C
Index of Refraction: 1.509
Molar Refractivity: 215.3±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 20.65
ACD/LogD (pH 5.5): 18.83
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 18.83
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 9 Å2
Polarizability: 85.3±0.5 10-24cm3
Surface Tension: 37.1±5.0 dyne/cm
Molar Volume: 721.4±5.0 cm3

Click to predict properties on the Chemicalize site


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