ChemSpider 2D Image | (8alpha,9beta,10alpha,13alpha,14beta,17alpha)-17-Methyl-17-[(trimethylsilyl)oxy]estr-4-en-3-one | C22H36O2Si

(8α,9β,10α,13α,14β,17α)-17-Methyl-17-[(trimethylsilyl)oxy]estr-4-en-3-one

  • Molecular FormulaC22H36O2Si
  • Average mass360.605 Da
  • Monoisotopic mass360.248444 Da
  • ChemSpider ID34967017

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(8α,9β,10α,13α,14β,17α)-17-Methyl-17-[(trimethylsilyl)oxy]estr-4-en-3-on [German] [ACD/IUPAC Name]
(8α,9β,10α,13α,14β,17α)-17-Methyl-17-[(trimethylsilyl)oxy]estr-4-en-3-one [ACD/IUPAC Name]
(8α,9β,10α,13α,14β,17α)-17-Méthyl-17-[(triméthylsilyl)oxy]estr-4-én-3-one [French] [ACD/IUPAC Name]
Estr-4-en-3-one, 17-methyl-17-[(trimethylsilyl)oxy]-, (8α,9β,10α,13α,14β,17α)- [ACD/Index Name]
77572-72-6 [RN]
MFCD01746260 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 429.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.5±3.0 kJ/mol
Flash Point: 177.4±24.3 °C
Index of Refraction: 1.518
Molar Refractivity: 106.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.88
ACD/LogD (pH 5.5): 5.10
ACD/BCF (pH 5.5): 4450.45
ACD/KOC (pH 5.5): 14227.25
ACD/LogD (pH 7.4): 5.10
ACD/BCF (pH 7.4): 4450.45
ACD/KOC (pH 7.4): 14227.25
Polar Surface Area: 26 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 34.4±5.0 dyne/cm
Molar Volume: 349.8±5.0 cm3

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