ChemSpider 2D Image | (3R,4S,7S)-4-{[Dimethyl(2-methyl-2-propanyl)silyl]oxy}-3-methyl-7-[(2S)-2-{[(2-methyl-2-propanyl)(diphenyl)silyl]oxy}propyl]-2-oxepanone | C32H50O4Si2

(3R,4S,7S)-4-{[Dimethyl(2-methyl-2-propanyl)silyl]oxy}-3-methyl-7-[(2S)-2-{[(2-methyl-2-propanyl)(diphenyl)silyl]oxy}propyl]-2-oxepanone

  • Molecular FormulaC32H50O4Si2
  • Average mass554.908 Da
  • Monoisotopic mass554.324768 Da
  • ChemSpider ID10018080

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3R,4S,7S)-4-{[Dimethyl(2-methyl-2-propanyl)silyl]oxy}-3-methyl-7-[(2S)-2-{[(2-methyl-2-propanyl)(diphenyl)silyl]oxy}propyl]-2-oxepanon [German] [ACD/IUPAC Name]
(3R,4S,7S)-4-{[Dimethyl(2-methyl-2-propanyl)silyl]oxy}-3-methyl-7-[(2S)-2-{[(2-methyl-2-propanyl)(diphenyl)silyl]oxy}propyl]-2-oxepanone [ACD/IUPAC Name]
(3R,4S,7S)-4-{[Diméthyl(2-méthyl-2-propanyl)silyl]oxy}-3-méthyl-7-[(2S)-2-{[(2-méthyl-2-propanyl)(diphényl)silyl]oxy}propyl]-2-oxépanone [French] [ACD/IUPAC Name]
2-Oxepanone, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-7-[(2S)-2-[[(1,1-dimethylethyl)diphenylsilyl]oxy]propyl]-3-methyl-, (3R,4S,7S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 566.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.1±3.0 kJ/mol
Flash Point: 246.4±25.7 °C
Index of Refraction: 1.517
Molar Refractivity: 164.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 9.59
ACD/LogD (pH 5.5): 8.77
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1408321.00
ACD/LogD (pH 7.4): 8.77
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1408321.00
Polar Surface Area: 45 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 34.4±5.0 dyne/cm
Molar Volume: 545.1±5.0 cm3

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