Found 3 results

Search term: JIFKGXKDITUDPD (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (8xi,9xi,14xi)-Pregna-1,20-dien-3-one | C21H30O

(8ξ,9ξ,14ξ)-Pregna-1,20-dien-3-one

  • Molecular FormulaC21H30O
  • Average mass298.462 Da
  • Monoisotopic mass298.229675 Da
  • ChemSpider ID30650850

  • defined stereocentres - 3 of 7 defined stereocentres

More details:

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

(8ξ,9ξ,14ξ)-Pregna-1,20-dien-3-on [German] [ACD/IUPAC Name]
(8ξ,9ξ,14ξ)-Pregna-1,20-dien-3-one [ACD/IUPAC Name]
(8ξ,9ξ,14ξ)-Prégna-1,20-dién-3-one [French] [ACD/IUPAC Name]
Pregna-1,20-dien-3-one, (8ξ,9ξ,14ξ)- [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: 398.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.9±3.0 kJ/mol
Flash Point: 190.2±18.7 °C
Index of Refraction: 1.562
Molar Refractivity: 92.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.00
ACD/LogD (pH 5.5): 5.09
ACD/BCF (pH 5.5): 4355.33
ACD/KOC (pH 5.5): 14008.92
ACD/LogD (pH 7.4): 5.09
ACD/BCF (pH 7.4): 4355.33
ACD/KOC (pH 7.4): 14008.92
Polar Surface Area: 17 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 284.8±3.0 cm3

Click to predict properties on the Chemicalize site


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