ChemSpider 2D Image | (1S,1'S,2'R,3R,4'S)-2'-[Dimethyl(phenyl)silyl]-4'-methyl-6'-oxo-1,1'-bi(cyclohexyl)-3-yl 3,5-dinitrobenzoate | C28H34N2O7Si

(1S,1'S,2'R,3R,4'S)-2'-[Dimethyl(phenyl)silyl]-4'-methyl-6'-oxo-1,1'-bi(cyclohexyl)-3-yl 3,5-dinitrobenzoate

  • Molecular FormulaC28H34N2O7Si
  • Average mass538.664 Da
  • Monoisotopic mass538.213501 Da
  • ChemSpider ID9470615

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S,1'S,2'R,3R,4'S)-2'-[Dimethyl(phenyl)silyl]-4'-methyl-6'-oxo-1,1'-bi(cyclohexyl)-3-yl 3,5-dinitrobenzoate [ACD/IUPAC Name]
(1S,1'S,2'R,3R,4'S)-2'-[Dimethyl(phenyl)silyl]-4'-methyl-6'-oxo-1,1'-bi(cyclohexyl)-3-yl-3,5-dinitrobenzoat [German] [ACD/IUPAC Name]
[1,1'-Bicyclohexyl]-2-one, 6-(dimethylphenylsilyl)-3'-[(3,5-dinitrobenzoyl)oxy]-4-methyl-, (1S,1'S,3'R,4S,6R)- [ACD/Index Name]
3,5-Dinitrobenzoate de (1S,1'S,2'R,3R,4'S)-2'-[diméthyl(phényl)silyl]-4'-méthyl-6'-oxo-1,1'-bi(cyclohexyl)-3-yle [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: 644.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 343.5±31.5 °C
Index of Refraction: 1.580
Molar Refractivity: 144.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.42
ACD/LogD (pH 5.5): 6.95
ACD/BCF (pH 5.5): 113641.32
ACD/KOC (pH 5.5): 144654.27
ACD/LogD (pH 7.4): 6.95
ACD/BCF (pH 7.4): 113641.32
ACD/KOC (pH 7.4): 144654.27
Polar Surface Area: 135 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 50.5±5.0 dyne/cm
Molar Volume: 433.1±5.0 cm3

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