ChemSpider 2D Image | (17beta)-3-[(Trimethylsilyl)oxy]estra-1,3,5(10)-trien-17-yl heptafluorobutanoate | C25H31F7O3Si

(17β)-3-[(Trimethylsilyl)oxy]estra-1,3,5(10)-trien-17-yl heptafluorobutanoate

  • Molecular FormulaC25H31F7O3Si
  • Average mass540.586 Da
  • Monoisotopic mass540.193054 Da
  • ChemSpider ID60720

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(17β)-3-[(Trimethylsilyl)oxy]estra-1,3,5(10)-trien-17-yl heptafluorobutanoate [ACD/IUPAC Name]
(17β)-3-[(Trimethylsilyl)oxy]estra-1,3,5(10)-trien-17-yl-heptafluorbutanoat [German] [ACD/IUPAC Name]
Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, (17β)-3-[(trimethylsilyl)oxy]estra-1,3,5(10)-trien-17-yl ester [ACD/Index Name]
Estra-1,3,5(10)-trien-17-ol, 3-((trimethylsilyl)oxy)-, heptafluorobutanoate, (17β)-
Heptafluorobutanoate de (17β)-3-[(triméthylsilyl)oxy]estra-1,3,5(10)-trién-17-yle [French] [ACD/IUPAC Name]
120623-45-2 [RN]
E2-3-Tms-17-hfb
E2-Tmsehf
Estradiol-3-trimethylsilyl ether-17-heptafluorobutyrate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 450.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.9±3.0 kJ/mol
Flash Point: 226.0±28.7 °C
Index of Refraction: 1.483
Molar Refractivity: 121.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.79
ACD/LogD (pH 5.5): 6.15
ACD/BCF (pH 5.5): 27694.91
ACD/KOC (pH 5.5): 52656.82
ACD/LogD (pH 7.4): 6.15
ACD/BCF (pH 7.4): 27694.91
ACD/KOC (pH 7.4): 52656.82
Polar Surface Area: 36 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 32.9±5.0 dyne/cm
Molar Volume: 425.9±5.0 cm3

Click to predict properties on the Chemicalize site


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