ChemSpider 2D Image | Cyclopregnol | C21H32O2

Cyclopregnol

  • Molecular FormulaC21H32O2
  • Average mass316.478 Da
  • Monoisotopic mass316.240234 Da
  • ChemSpider ID35517184
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

(3α,5α,6β)-6-Hydroxy-3,5-cyclopregnan-20-on [German] [ACD/IUPAC Name]
(3α,5α,6β)-6-Hydroxy-3,5-cyclopregnan-20-one [ACD/IUPAC Name]
(3α,5α,6β)-6-Hydroxy-3,5-cycloprégnan-20-one [French] [ACD/IUPAC Name]
3,5-Cyclopregnan-20-one, 6-hydroxy-, (3α,5α,6β)- [ACD/Index Name]
ciclopregnol [Spanish] [INN]
cyclopregnol [French] [INN]
Cyclopregnol [INN]
cyclopregnolum [Latin] [INN]
циклопрегнол [Russian] [INN]
سيكلوبريغنول [Arabic] [INN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 435.3±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 79.8±6.0 kJ/mol
Flash Point: 185.6±16.6 °C
Index of Refraction: 1.563
Molar Refractivity: 90.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 3.83
ACD/BCF (pH 5.5): 475.51
ACD/KOC (pH 5.5): 2870.22
ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 7.4): 475.51
ACD/KOC (pH 7.4): 2870.22
Polar Surface Area: 37 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 45.0±5.0 dyne/cm
Molar Volume: 279.1±5.0 cm3

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