ChemSpider 2D Image | (16E)-3-Butoxy-16-(3,4-dimethoxybenzylidene)estra-1,3,5(10)-trien-17-one | C31H38O4

(16E)-3-Butoxy-16-(3,4-dimethoxybenzylidene)estra-1,3,5(10)-trien-17-one

  • Molecular FormulaC31H38O4
  • Average mass474.631 Da
  • Monoisotopic mass474.277008 Da
  • ChemSpider ID59755375

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(16E)-3-Butoxy-16-(3,4-dimethoxybenzyliden)estra-1,3,5(10)-trien-17-on [German] [ACD/IUPAC Name]
(16E)-3-Butoxy-16-(3,4-dimethoxybenzylidene)estra-1,3,5(10)-trien-17-one [ACD/IUPAC Name]
(16E)-3-Butoxy-16-(3,4-diméthoxybenzylidène)estra-1,3,5(10)-trién-17-one [French] [ACD/IUPAC Name]
Estra-1,3,5(10)-trien-17-one, 3-butoxy-16-[(3,4-dimethoxyphenyl)methylene]-, (16E)- [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: 628.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.0±3.0 kJ/mol
Flash Point: 265.4±31.5 °C
Index of Refraction: 1.580
Molar Refractivity: 140.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 8.10
ACD/LogD (pH 5.5): 7.07
ACD/BCF (pH 5.5): 140198.94
ACD/KOC (pH 5.5): 168119.23
ACD/LogD (pH 7.4): 7.07
ACD/BCF (pH 7.4): 140198.94
ACD/KOC (pH 7.4): 168119.23
Polar Surface Area: 45 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 423.0±3.0 cm3

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