ChemSpider 2D Image | Phenyl (1S,2R,5S)-2,5-dimethoxy-4-{[(2-methyl-2-propanyl)(diphenyl)silyl]oxy}-3-cyclohexene-1-carboxylate | C31H36O5Si

Phenyl (1S,2R,5S)-2,5-dimethoxy-4-{[(2-methyl-2-propanyl)(diphenyl)silyl]oxy}-3-cyclohexene-1-carboxylate

  • Molecular FormulaC31H36O5Si
  • Average mass516.700 Da
  • Monoisotopic mass516.233215 Da
  • ChemSpider ID30658529

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,2R,5S)-2,5-Diméthoxy-4-{[(2-méthyl-2-propanyl)(diphényl)silyl]oxy}-3-cyclohexène-1-carboxylate de phényle [French] [ACD/IUPAC Name]
3-Cyclohexene-1-carboxylic acid, 4-[[(1,1-dimethylethyl)diphenylsilyl]oxy]-2,5-dimethoxy-, phenyl ester, (1S,2R,5S)- [ACD/Index Name]
Phenyl (1S,2R,5S)-2,5-dimethoxy-4-{[(2-methyl-2-propanyl)(diphenyl)silyl]oxy}-3-cyclohexene-1-carboxylate [ACD/IUPAC Name]
Phenyl-(1S,2R,5S)-2,5-dimethoxy-4-{[(2-methyl-2-propanyl)(diphenyl)silyl]oxy}-3-cyclohexen-1-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 569.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.5±3.0 kJ/mol
Flash Point: 247.8±25.7 °C
Index of Refraction: 1.574
Molar Refractivity: 149.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 8.51
ACD/LogD (pH 5.5): 7.55
ACD/BCF (pH 5.5): 322754.66
ACD/KOC (pH 5.5): 305368.78
ACD/LogD (pH 7.4): 7.55
ACD/BCF (pH 7.4): 322754.66
ACD/KOC (pH 7.4): 305368.78
Polar Surface Area: 54 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 43.2±5.0 dyne/cm
Molar Volume: 453.7±5.0 cm3

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