ChemSpider 2D Image | MFCD10569157 | C21H40O2Si

MFCD10569157

  • Molecular FormulaC21H40O2Si
  • Average mass352.627 Da
  • Monoisotopic mass352.279755 Da
  • ChemSpider ID22899694

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(2S,4R,5R)-5-Allyl-4-[(2S)-1-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}-3-methyl-2-butanyl]-2-methylcyclohexanon [German] [ACD/IUPAC Name]
(2S,4R,5R)-5-Allyl-4-[(2S)-1-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}-3-methyl-2-butanyl]-2-methylcyclohexanone [ACD/IUPAC Name]
(2S,4R,5R)-5-Allyl-4-[(2S)-1-{[diméthyl(2-méthyl-2-propanyl)silyl]oxy}-3-méthyl-2-butanyl]-2-méthylcyclohexanone [French] [ACD/IUPAC Name]
Cyclohexanone, 4-[(1S)-1-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-2-methylpropyl]-2-methyl-5-(2-propen-1-yl)-, (2S,4R,5R)- [ACD/Index Name]
MFCD10569157
(2S,4R,5R)-5-ALLYL-4-((S)-1-(TERT-BUTYLDIMETHYLSILYLOXY)-3-METHYLBUTAN-2-YL)-2-METHYLCYCLOHEXANONE

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

Density: 0.9±0.1 g/cm3
Boiling Point: 388.5±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.8±3.0 kJ/mol
Flash Point: 156.9±15.9 °C
Index of Refraction: 1.452
Molar Refractivity: 107.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.18
ACD/LogD (pH 5.5): 6.02
ACD/BCF (pH 5.5): 22273.64
ACD/KOC (pH 5.5): 45054.14
ACD/LogD (pH 7.4): 6.02
ACD/BCF (pH 7.4): 22273.64
ACD/KOC (pH 7.4): 45054.14
Polar Surface Area: 26 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 26.2±3.0 dyne/cm
Molar Volume: 398.8±3.0 cm3

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