ChemSpider 2D Image | 6-(3-Hydroxy-17-oxoestra-1,3,5(10)-trien-7beta-yl)hexanenitrile | C24H31NO2

6-(3-Hydroxy-17-oxoestra-1,3,5(10)-trien-7β-yl)hexanenitrile

  • Molecular FormulaC24H31NO2
  • Average mass365.508 Da
  • Monoisotopic mass365.235474 Da
  • ChemSpider ID21107547

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

6-(3-Hydroxy-17-oxoestra-1,3,5(10)-trien-7β-yl)hexanenitrile
6-[(7β)-3-Hydroxy-17-oxoestra-1,3,5(10)-trien-7-yl]hexanenitrile [ACD/IUPAC Name]
6-[(7β)-3-Hydroxy-17-oxoestra-1,3,5(10)-trién-7-yl]hexanenitrile [French] [ACD/IUPAC Name]
6-[(7β)-3-Hydroxy-17-oxoestra-1,3,5(10)-trien-7-yl]hexannitril [German] [ACD/IUPAC Name]
Hexanenitrile, 6-[(7β)-3-hydroxy-17-oxoestra-1,3,5(10)-trien-7-yl]- [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: 567.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.4±3.0 kJ/mol
Flash Point: 297.3±30.1 °C
Index of Refraction: 1.556
Molar Refractivity: 105.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 4.37
ACD/BCF (pH 5.5): 1225.01
ACD/KOC (pH 5.5): 5650.51
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 1223.30
ACD/KOC (pH 7.4): 5642.63
Polar Surface Area: 61 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 329.1±3.0 cm3

Click to predict properties on the Chemicalize site


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