ChemSpider 2D Image | (17beta)-8-Methyl-3-oxoandrost-4-en-17-yl cyclohexanecarboxylate | C27H40O3

(17β)-8-Methyl-3-oxoandrost-4-en-17-yl cyclohexanecarboxylate

  • Molecular FormulaC27H40O3
  • Average mass412.605 Da
  • Monoisotopic mass412.297760 Da
  • ChemSpider ID57524764

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(17β)-8-Methyl-3-oxoandrost-4-en-17-yl cyclohexanecarboxylate [ACD/IUPAC Name]
(17β)-8-Methyl-3-oxoandrost-4-en-17-yl-cyclohexancarboxylat [German] [ACD/IUPAC Name]
Cyclohexanecarboxylate de (17β)-8-méthyl-3-oxoandrost-4-én-17-yle [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, (17β)-8-methyl-3-oxoandrost-4-en-17-yl ester [ACD/Index Name]
14191-92-5 [RN]
Androst-4-en-3-one,17-[(cyclohexylcarbonyl)oxy]-, (17b)- (9CI)
testosterone 17-cyclohexanecarboxylate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 516.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.8±3.0 kJ/mol
Flash Point: 219.6±30.2 °C
Index of Refraction: 1.547
Molar Refractivity: 118.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.91
ACD/LogD (pH 5.5): 5.91
ACD/BCF (pH 5.5): 18123.13
ACD/KOC (pH 5.5): 38871.35
ACD/LogD (pH 7.4): 5.91
ACD/BCF (pH 7.4): 18123.13
ACD/KOC (pH 7.4): 38871.35
Polar Surface Area: 43 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 43.5±5.0 dyne/cm
Molar Volume: 373.6±5.0 cm3

Click to predict properties on the Chemicalize site


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