ChemSpider 2D Image | 3-{[Dimethyl(2-methyl-2-propanyl)silyl]oxy}-2,2-bis({[(4-methylphenyl)sulfonyl]oxy}methyl)propyl 4-methylbenzenesulfonate | C32H44O10S3Si

3-{[Dimethyl(2-methyl-2-propanyl)silyl]oxy}-2,2-bis({[(4-methylphenyl)sulfonyl]oxy}methyl)propyl 4-methylbenzenesulfonate

  • Molecular FormulaC32H44O10S3Si
  • Average mass712.966 Da
  • Monoisotopic mass712.186584 Da
  • ChemSpider ID24740395

More details:

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

1,3-Propanediol, 2-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-2-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-, bis(4-methylbenzenesulfonate) [ACD/Index Name]
3-{[Dimethyl(2-methyl-2-propanyl)silyl]oxy}-2,2-bis({[(4-methylphenyl)sulfonyl]oxy}methyl)propyl 4-methylbenzenesulfonate [ACD/IUPAC Name]
3-{[Dimethyl(2-methyl-2-propanyl)silyl]oxy}-2,2-bis({[(4-methylphenyl)sulfonyl]oxy}methyl)propyl-4-methylbenzolsulfonat [German] [ACD/IUPAC Name]
4-Méthylbenzènesulfonate de 3-{[diméthyl(2-méthyl-2-propanyl)silyl]oxy}-2,2-bis({[(4-méthylphényl)sulfonyl]oxy}méthyl)propyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 766.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 107.6±3.0 kJ/mol
Flash Point: 417.1±32.9 °C
Index of Refraction: 1.546
Molar Refractivity: 183.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 7.84
ACD/LogD (pH 5.5): 7.38
ACD/BCF (pH 5.5): 239669.33
ACD/KOC (pH 5.5): 246775.23
ACD/LogD (pH 7.4): 7.38
ACD/BCF (pH 7.4): 239669.33
ACD/KOC (pH 7.4): 246775.23
Polar Surface Area: 164 Å2
Polarizability: 72.6±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 578.7±3.0 cm3

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