ChemSpider 2D Image | 4-{1-[(3beta)-Cholest-5-en-3-yloxy]ethyl}phenol | C35H54O2

4-{1-[(3β)-Cholest-5-en-3-yloxy]ethyl}phenol

  • Molecular FormulaC35H54O2
  • Average mass506.802 Da
  • Monoisotopic mass506.412384 Da
  • ChemSpider ID9641123

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

4-{1-[(3β)-Cholest-5-en-3-yloxy]ethyl}phenol [ACD/IUPAC Name]
4-{1-[(3β)-Cholest-5-en-3-yloxy]ethyl}phenol [German] [ACD/IUPAC Name]
4-{1-[(3β)-Cholest-5-én-3-yloxy]éthyl}phénol [French] [ACD/IUPAC Name]
Phenol, 4-[1-[(3β)-cholest-5-en-3-yloxy]ethyl]- [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: 586.2±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 237.9±21.0 °C
Index of Refraction: 1.551
Molar Refractivity: 155.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 12.17
ACD/LogD (pH 5.5): 10.58
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.57
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 29 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 42.1±5.0 dyne/cm
Molar Volume: 488.3±5.0 cm3

Click to predict properties on the Chemicalize site


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