ChemSpider 2D Image | 13-Ethyl-17-hydroxy-17-[(E)-2-iodovinyl]-11-methylene-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one | C22H29IO2

13-Ethyl-17-hydroxy-17-[(E)-2-iodovinyl]-11-methylene-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one

  • Molecular FormulaC22H29IO2
  • Average mass452.369 Da
  • Monoisotopic mass452.121216 Da
  • ChemSpider ID21200605

  • Double-bond stereo - Double-bond stereo

More details:

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

13-Ethyl-17-hydroxy-17-[(E)-2-iodovinyl]-11-methylene-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one [ACD/IUPAC Name]
13-Éthyl-17-hydroxy-17-[(E)-2-iodovinyl]-11-méthylène-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tétradécahydro-3H-cyclopenta[a]phénanthrén-3-one [French] [ACD/IUPAC Name]
13-Ethyl-17-hydroxy-17-[(E)-2-iodvinyl]-11-methylen-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-on [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 532.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 92.9±6.0 kJ/mol
Flash Point: 275.6±30.1 °C
Index of Refraction: 1.614
Molar Refractivity: 109.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.48
ACD/LogD (pH 5.5): 4.58
ACD/BCF (pH 5.5): 1771.93
ACD/KOC (pH 5.5): 7359.27
ACD/LogD (pH 7.4): 4.58
ACD/BCF (pH 7.4): 1771.92
ACD/KOC (pH 7.4): 7359.26
Polar Surface Area: 37 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 313.9±5.0 cm3

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