ChemSpider 2D Image | (8xi,9xi,14xi)-3-Hydroxyestra-1,3,5(10)-trien-17-yl 3-cyclopentylpropanoate | C26H36O3

(8ξ,9ξ,14ξ)-3-Hydroxyestra-1,3,5(10)-trien-17-yl 3-cyclopentylpropanoate

  • Molecular FormulaC26H36O3
  • Average mass396.562 Da
  • Monoisotopic mass396.266449 Da
  • ChemSpider ID21258266

  • defined stereocentres - 1 of 5 defined stereocentres

More details:

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

(8ξ,9ξ,14ξ)-3-Hydroxyestra-1,3,5(10)-trien-17-yl 3-cyclopentylpropanoate [ACD/IUPAC Name]
(8ξ,9ξ,14ξ)-3-Hydroxyestra-1,3,5(10)-trien-17-yl-3-cyclopentylpropanoat [German] [ACD/IUPAC Name]
3-Cyclopentylpropanoate de (8ξ,9ξ,14ξ)-3-hydroxyestra-1,3,5(10)-trién-17-yle [French] [ACD/IUPAC Name]
Cyclopentanepropanoic acid, (8ξ,9ξ,14ξ)-3-hydroxyestra-1,3,5(10)-trien-17-yl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 532.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.9±3.0 kJ/mol
Flash Point: 207.7±22.9 °C
Index of Refraction: 1.579
Molar Refractivity: 114.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.59
ACD/LogD (pH 5.5): 6.85
ACD/BCF (pH 5.5): 95048.62
ACD/KOC (pH 5.5): 127288.95
ACD/LogD (pH 7.4): 6.85
ACD/BCF (pH 7.4): 94915.66
ACD/KOC (pH 7.4): 127110.88
Polar Surface Area: 47 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 344.2±5.0 cm3

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