ChemSpider 2D Image | (3beta,5alpha,16E)-3-Hydroxy-16-(4-isopropylbenzylidene)androstan-17-one | C29H40O2

(3β,5α,16E)-3-Hydroxy-16-(4-isopropylbenzylidene)androstan-17-one

  • Molecular FormulaC29H40O2
  • Average mass420.627 Da
  • Monoisotopic mass420.302826 Da
  • ChemSpider ID59755287

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3β,5α,16E)-3-Hydroxy-16-(4-isopropylbenzyliden)androstan-17-on [German] [ACD/IUPAC Name]
(3β,5α,16E)-3-Hydroxy-16-(4-isopropylbenzylidene)androstan-17-one [ACD/IUPAC Name]
(3β,5α,16E)-3-Hydroxy-16-(4-isopropylbenzylidène)androstan-17-one [French] [ACD/IUPAC Name]
Androstan-17-one, 3-hydroxy-16-[[4-(1-methylethyl)phenyl]methylene]-, (3β,5α,16E)- [ACD/Index 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: 557.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.4±3.0 kJ/mol
Flash Point: 234.5±22.7 °C
Index of Refraction: 1.580
Molar Refractivity: 128.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 7.45
ACD/LogD (pH 5.5): 6.54
ACD/BCF (pH 5.5): 55132.28
ACD/KOC (pH 5.5): 86194.61
ACD/LogD (pH 7.4): 6.54
ACD/BCF (pH 7.4): 55132.28
ACD/KOC (pH 7.4): 86194.61
Polar Surface Area: 37 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 43.8±3.0 dyne/cm
Molar Volume: 385.5±3.0 cm3

Click to predict properties on the Chemicalize site


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