ChemSpider 2D Image | (8S,10R,13S)-13-Ethyl-11-methylene(16,16-~2~H_2_)-1,2,3,6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-17H-cyclopenta[a]phenanthren-17-one (non-preferred name) | C20H26D2O

(8S,10R,13S)-13-Ethyl-11-methylene(16,16-2H2)-1,2,3,6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-17H-cyclopenta[a]phenanthren-17-one (non-preferred name)

  • Molecular FormulaC20H26D2O
  • Average mass286.448 Da
  • Monoisotopic mass286.226563 Da
  • ChemSpider ID58783373

  • defined stereocentres - 3 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(8S,10R,13S)-13-Ethyl-11-methylen(16,16-2H2)-1,2,3,6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-17H-cyclopenta[a]phenanthren-17-on (non-preferred name) [German] [ACD/IUPAC Name]
(8S,10R,13S)-13-Ethyl-11-methylene(16,16-2H2)-1,2,3,6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-17H-cyclopenta[a]phenanthren-17-one (non-preferred name) [ACD/IUPAC Name]
(8S,10R,13S)-13-Éthyl-11-méthylène(16,16-2H2)-1,2,3,6,7,8,9,10,11,12,13,14,15,16-tétradécahydro-17H-cyclopenta[a]phénanthrén-17-one (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 412.5±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.5±3.0 kJ/mol
Flash Point: 177.9±23.4 °C
Index of Refraction: 1.547
Molar Refractivity: 85.7±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.65
ACD/LogD (pH 5.5): 4.90
ACD/BCF (pH 5.5): 3107.73
ACD/KOC (pH 5.5): 11002.35
ACD/LogD (pH 7.4): 4.90
ACD/BCF (pH 7.4): 3107.73
ACD/KOC (pH 7.4): 11002.35
Polar Surface Area: 17 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 38.9±5.0 dyne/cm
Molar Volume: 270.5±5.0 cm3

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