ChemSpider 2D Image | (2alpha,13xi)-2-Methylpregn-4-ene-3,20-dione | C22H32O2

(2α,13ξ)-2-Methylpregn-4-ene-3,20-dione

  • Molecular FormulaC22H32O2
  • Average mass328.488 Da
  • Monoisotopic mass328.240234 Da
  • ChemSpider ID58816928

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(2α,13ξ)-2-Methylpregn-4-en-3,20-dion [German] [ACD/IUPAC Name]
(2α,13ξ)-2-Methylpregn-4-ene-3,20-dione [ACD/IUPAC Name]
(2α,13ξ)-2-Méthylprégn-4-ène-3,20-dione [French] [ACD/IUPAC Name]
Pregn-4-ene-3,20-dione, 2-methyl-, (2α,13ξ)- [ACD/Index Name]
2636-91-1 [RN]
PREGN-4-ENE-3,20-DIONE,2-METHYL-, (2A)-(9CI)

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

Density: 1.1±0.1 g/cm3
Boiling Point: 453.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.3±3.0 kJ/mol
Flash Point: 169.0±25.7 °C
Index of Refraction: 1.537
Molar Refractivity: 95.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 755.29
ACD/KOC (pH 5.5): 3997.19
ACD/LogD (pH 7.4): 4.09
ACD/BCF (pH 7.4): 755.29
ACD/KOC (pH 7.4): 3997.19
Polar Surface Area: 34 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 40.2±5.0 dyne/cm
Molar Volume: 305.8±5.0 cm3

Click to predict properties on the Chemicalize site


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