ChemSpider 2D Image | (17alpha)-16-Methyleneestra-1(10),2,4-triene-3,17-diol | C19H24O2

(17α)-16-Methyleneestra-1(10),2,4-triene-3,17-diol

  • Molecular FormulaC19H24O2
  • Average mass284.393 Da
  • Monoisotopic mass284.177643 Da
  • ChemSpider ID58818939

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(17α)-16-Methyleneestra-1(10),2,4-triene-3,17-diol [ACD/IUPAC Name]
(17α)-16-Méthylèneestra-1(10),2,4-triène-3,17-diol [French] [ACD/IUPAC Name]
(17α)-16-Methylenestra-1(10),2,4-trien-3,17-diol [German] [ACD/IUPAC Name]
Estra-1(10),2,4-triene-3,17-diol, 16-methylene-, (17α)- [ACD/Index Name]
16-Methylene estradiol
7627-87-4 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 458.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.8±3.0 kJ/mol
Flash Point: 214.3±23.3 °C
Index of Refraction: 1.615
Molar Refractivity: 83.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 605.14
ACD/KOC (pH 5.5): 3410.76
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 604.33
ACD/KOC (pH 7.4): 3406.23
Polar Surface Area: 40 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 51.7±5.0 dyne/cm
Molar Volume: 238.7±5.0 cm3

Click to predict properties on the Chemicalize site


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