ChemSpider 2D Image | (3S)-3-{[Dimethyl(2-methyl-2-propanyl)silyl]oxy}-5-[(4-methylphenyl)sulfonyl]-1-pentanol | C18H32O4SSi

(3S)-3-{[Dimethyl(2-methyl-2-propanyl)silyl]oxy}-5-[(4-methylphenyl)sulfonyl]-1-pentanol

  • Molecular FormulaC18H32O4SSi
  • Average mass372.595 Da
  • Monoisotopic mass372.179047 Da
  • ChemSpider ID24607061

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-{[Dimethyl(2-methyl-2-propanyl)silyl]oxy}-5-[(4-methylphenyl)sulfonyl]-1-pentanol [German] [ACD/IUPAC Name]
(3S)-3-{[Dimethyl(2-methyl-2-propanyl)silyl]oxy}-5-[(4-methylphenyl)sulfonyl]-1-pentanol [ACD/IUPAC Name]
(3S)-3-{[Diméthyl(2-méthyl-2-propanyl)silyl]oxy}-5-[(4-méthylphényl)sulfonyl]-1-pentanol [French] [ACD/IUPAC Name]
1-Pentanol, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-5-[(4-methylphenyl)sulfonyl]-, (3S)- [ACD/Index Name]
(3S)-3-(TERT-BUTYLDIMETHYLSILYLOXY)-5-TOSYLPENTANOL

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

Density: 1.1±0.1 g/cm3
Boiling Point: 487.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.4±3.0 kJ/mol
Flash Point: 248.8±28.7 °C
Index of Refraction: 1.497
Molar Refractivity: 103.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 3.58
ACD/BCF (pH 5.5): 306.71
ACD/KOC (pH 5.5): 2097.02
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 306.71
ACD/KOC (pH 7.4): 2097.02
Polar Surface Area: 72 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 34.4±3.0 dyne/cm
Molar Volume: 352.6±3.0 cm3

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