ChemSpider 2D Image | (8alpha,13alpha)-Estra-1,3,5(10)-trien-17-one | C18H22O

(8α,13α)-Estra-1,3,5(10)-trien-17-one

  • Molecular FormulaC18H22O
  • Average mass254.367 Da
  • Monoisotopic mass254.167068 Da
  • ChemSpider ID128925856

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(8α,13α)-Estra-1,3,5(10)-trien-17-on [German] [ACD/IUPAC Name]
(8α,13α)-Estra-1,3,5(10)-trien-17-one [ACD/IUPAC Name]
(8α,13α)-Estra-1,3,5(10)-trién-17-one [French] [ACD/IUPAC Name]
Estra-1,3,5(10)-trien-17-one, (8α,13α)- [ACD/Index Name]
3-deoxyestrone
53-45-2 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 387.0±41.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.6±3.0 kJ/mol
Flash Point: 167.8±22.6 °C
Index of Refraction: 1.565
Molar Refractivity: 76.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 543.78
ACD/KOC (pH 5.5): 3159.52
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 543.78
ACD/KOC (pH 7.4): 3159.52
Polar Surface Area: 17 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 233.7±3.0 cm3

Click to predict properties on the Chemicalize site


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