ChemSpider 2D Image | 6-(Cholest-5-en-3-yloxy)-6-oxohexanoic acid | C33H54O4

6-(Cholest-5-en-3-yloxy)-6-oxohexanoic acid

  • Molecular FormulaC33H54O4
  • Average mass514.779 Da
  • Monoisotopic mass514.402222 Da
  • ChemSpider ID197490

More details:

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

6-(Cholest-5-en-3-yloxy)-6-oxohexanoic acid [ACD/IUPAC Name]
6-(Cholest-5-en-3-yloxy)-6-oxohexansäure [German] [ACD/IUPAC Name]
Acide 6-(cholest-5-én-3-yloxy)-6-oxohexanoïque [French] [ACD/IUPAC Name]
Hexanedioic acid, monocholest-5-en-3-yl ester [ACD/Index Name]
6-[(Cholest-5-en-3-yl)oxy]-6-oxohexanoic acid
74294-94-3 [RN]

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

NSC18177 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 606.5±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 98.4±6.0 kJ/mol
Flash Point: 182.7±20.3 °C
Index of Refraction: 1.526
Molar Refractivity: 149.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 11.03
ACD/LogD (pH 5.5): 8.47
ACD/BCF (pH 5.5): 995582.81
ACD/KOC (pH 5.5): 384908.66
ACD/LogD (pH 7.4): 6.67
ACD/BCF (pH 7.4): 15733.47
ACD/KOC (pH 7.4): 6082.82
Polar Surface Area: 64 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 42.4±5.0 dyne/cm
Molar Volume: 487.7±5.0 cm3

Click to predict properties on the Chemicalize site


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