ChemSpider 2D Image | Butyl (17beta)-3-oxoandrost-4-en-17-yl 1,4-cyclohexanedicarboxylate | C31H46O5

Butyl (17β)-3-oxoandrost-4-en-17-yl 1,4-cyclohexanedicarboxylate

  • Molecular FormulaC31H46O5
  • Average mass498.694 Da
  • Monoisotopic mass498.334534 Da
  • ChemSpider ID21166877

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

1,4-Cyclohexanedicarboxylate de butyle et de (17β)-3-oxoandrost-4-én-17-yle [French] [ACD/IUPAC Name]
1,4-Cyclohexanedicarboxylic acid, butyl (17β)-3-oxoandrost-4-en-17-yl ester [ACD/Index Name]
302-865-2 [EINECS]
94134-95-9 [RN]
Androst-4-en-3-one, 17-[[[4-(butoxycarbonyl)cyclohexyl]carbonyl]oxy]-, (17β)-
Butyl (17β)-3-oxoandrost-4-en-17-yl 1,4-cyclohexanedicarboxylate [ACD/IUPAC Name]
Butyl-(17β)-3-oxoandrost-4-en-17-yl-1,4-cyclohexandicarboxylat [German] [ACD/IUPAC Name]
(17β)-17-(((4-(Butoxycarbonyl)cyclohexyl)carbonyl)oxy)androst-4-en-3-one
(17β)-17-[[[4-(butoxycarbonyl)cyclohexyl]carbonyl]oxy]androst-4-en-3-one
1-Butyl 4-((8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl) cyclohexane-1,4-dicarboxylate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 590.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.0±3.0 kJ/mol
Flash Point: 246.7±30.2 °C
Index of Refraction: 1.541
Molar Refractivity: 138.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 7.21
ACD/LogD (pH 5.5): 6.23
ACD/BCF (pH 5.5): 32127.32
ACD/KOC (pH 5.5): 58560.57
ACD/LogD (pH 7.4): 6.23
ACD/BCF (pH 7.4): 32127.32
ACD/KOC (pH 7.4): 58560.57
Polar Surface Area: 70 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 45.2±5.0 dyne/cm
Molar Volume: 441.6±5.0 cm3

Click to predict properties on the Chemicalize site


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