ChemSpider 2D Image | (13xi)-17-(1-Cyclohexen-1-yloxy)estra-1(10),2,4-trien-3-yl propionate | C27H36O3

(13ξ)-17-(1-Cyclohexen-1-yloxy)estra-1(10),2,4-trien-3-yl propionate

  • Molecular FormulaC27H36O3
  • Average mass408.573 Da
  • Monoisotopic mass408.266449 Da
  • ChemSpider ID58816010

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(13ξ)-17-(1-Cyclohexen-1-yloxy)estra-1(10),2,4-trien-3-yl propionate [ACD/IUPAC Name]
(13ξ)-17-(1-Cyclohexen-1-yloxy)estra-1(10),2,4-trien-3-ylpropionat [German] [ACD/IUPAC Name]
Estra-1(10),2,4-trien-3-ol, 17-(1-cyclohexen-1-yloxy)-, propanoate, (13ξ)- [ACD/Index Name]
Propionate de (13ξ)-17-(1-cyclohexén-1-yloxy)estra-1(10),2,4-trién-3-yle [French] [ACD/IUPAC Name]
13885-31-9 [RN]
Orestrate [INN] [Wiki]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 542.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.0±3.0 kJ/mol
Flash Point: 236.4±24.7 °C
Index of Refraction: 1.572
Molar Refractivity: 119.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.61
ACD/LogD (pH 5.5): 6.75
ACD/BCF (pH 5.5): 79783.87
ACD/KOC (pH 5.5): 112297.66
ACD/LogD (pH 7.4): 6.75
ACD/BCF (pH 7.4): 79783.87
ACD/KOC (pH 7.4): 112297.66
Polar Surface Area: 36 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 45.9±5.0 dyne/cm
Molar Volume: 361.7±5.0 cm3

Click to predict properties on the Chemicalize site


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