ChemSpider 2D Image | (5alpha,8xi,9xi,10xi,13xi,14xi,17xi)-Pregn-2-en-20-one | C21H32O

(5α,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ)-Pregn-2-en-20-one

  • Molecular FormulaC21H32O
  • Average mass300.478 Da
  • Monoisotopic mass300.245331 Da
  • ChemSpider ID22889198

  • defined stereocentres - 1 of 7 defined stereocentres

More details:

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

(5α,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ)-Pregn-2-en-20-on [German] [ACD/IUPAC Name]
(5α,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ)-Pregn-2-en-20-one [ACD/IUPAC Name]
(5α,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ)-Prégn-2-én-20-one [French] [ACD/IUPAC Name]
Pregn-2-en-20-one, (5α,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ)- [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: 392.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.2±3.0 kJ/mol
Flash Point: 165.9±22.8 °C
Index of Refraction: 1.519
Molar Refractivity: 90.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.45
ACD/LogD (pH 5.5): 5.19
ACD/BCF (pH 5.5): 5140.60
ACD/KOC (pH 5.5): 15773.81
ACD/LogD (pH 7.4): 5.19
ACD/BCF (pH 7.4): 5140.60
ACD/KOC (pH 7.4): 15773.81
Polar Surface Area: 17 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 35.4±3.0 dyne/cm
Molar Volume: 298.7±3.0 cm3

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