ChemSpider 2D Image | (8xi,9xi,14xi,17beta)-3-Oxoandrost-4-en-17-yl 4-butylcyclohexanecarboxylate | C30H46O3

(8ξ,9ξ,14ξ,17β)-3-Oxoandrost-4-en-17-yl 4-butylcyclohexanecarboxylate

  • Molecular FormulaC30H46O3
  • Average mass454.684 Da
  • Monoisotopic mass454.344696 Da
  • ChemSpider ID30650502

  • defined stereocentres - 3 of 8 defined stereocentres

More details:

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

(8ξ,9ξ,14ξ,17β)-3-Oxoandrost-4-en-17-yl 4-butylcyclohexanecarboxylate [ACD/IUPAC Name]
(8ξ,9ξ,14ξ,17β)-3-Oxoandrost-4-en-17-yl-4-butylcyclohexancarboxylat [German] [ACD/IUPAC Name]
4-Butylcyclohexanecarboxylate de (8ξ,9ξ,14ξ,17β)-3-oxoandrost-4-én-17-yle [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-butyl-, (8ξ,9ξ,14ξ,17β)-3-oxoandrost-4-en-17-yl ester [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: 555.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.7±3.0 kJ/mol
Flash Point: 233.4±30.2 °C
Index of Refraction: 1.538
Molar Refractivity: 132.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 8.52
ACD/LogD (pH 5.5): 7.14
ACD/BCF (pH 5.5): 156095.84
ACD/KOC (pH 5.5): 181554.28
ACD/LogD (pH 7.4): 7.14
ACD/BCF (pH 7.4): 156095.84
ACD/KOC (pH 7.4): 181554.28
Polar Surface Area: 43 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 42.5±5.0 dyne/cm
Molar Volume: 422.8±5.0 cm3

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