ChemSpider 2D Image | (6alpha,16alpha)-6,16-Dimethylpregn-4-ene-3,20-dione | C23H34O2

(6α,16α)-6,16-Dimethylpregn-4-ene-3,20-dione

  • Molecular FormulaC23H34O2
  • Average mass342.515 Da
  • Monoisotopic mass342.255890 Da
  • ChemSpider ID23115345
  • defined stereocentres - 2 of 8 defined stereocentres


More details:






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

(6α,16α)-6,16-Dimethylpregn-4-en-3,20-dion [German] [ACD/IUPAC Name]
(6α,16α)-6,16-Dimethylpregn-4-ene-3,20-dione [ACD/IUPAC Name]
(6α,16α)-6,16-Diméthylprégn-4-ène-3,20-dione [French] [ACD/IUPAC Name]
Pregn-4-ene-3,20-dione, 6,16-dimethyl-, (6α,16α)- [ACD/Index Name]
17-Acetyl-6,10,13,16-tetramethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-3-one

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 460.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.1±3.0 kJ/mol
Flash Point: 171.4±25.7 °C
Index of Refraction: 1.533
Molar Refractivity: 100.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.02
ACD/LogD (pH 5.5): 4.69
ACD/BCF (pH 5.5): 2145.78
ACD/KOC (pH 5.5): 8440.05
ACD/LogD (pH 7.4): 4.69
ACD/BCF (pH 7.4): 2145.78
ACD/KOC (pH 7.4): 8440.05
Polar Surface Area: 34 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 39.4±5.0 dyne/cm
Molar Volume: 322.6±5.0 cm3

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