ChemSpider 2D Image | 7-Butyl-1-[(4-methylphenyl)sulfonyl]-4-(trimethylsilyl)-2,3,4,5,6,7-hexahydro-1H-indole-5-carbonitrile | C23H34N2O2SSi

7-Butyl-1-[(4-methylphenyl)sulfonyl]-4-(trimethylsilyl)-2,3,4,5,6,7-hexahydro-1H-indole-5-carbonitrile

  • Molecular FormulaC23H34N2O2SSi
  • Average mass430.679 Da
  • Monoisotopic mass430.211029 Da
  • ChemSpider ID29303519

More details:

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

1H-Indole-5-carbonitrile, 7-butyl-2,3,4,5,6,7-hexahydro-1-[(4-methylphenyl)sulfonyl]-4-(trimethylsilyl)- [ACD/Index Name]
7-Butyl-1-[(4-methylphenyl)sulfonyl]-4-(trimethylsilyl)-2,3,4,5,6,7-hexahydro-1H-indol-5-carbonitril [German] [ACD/IUPAC Name]
7-Butyl-1-[(4-methylphenyl)sulfonyl]-4-(trimethylsilyl)-2,3,4,5,6,7-hexahydro-1H-indole-5-carbonitrile [ACD/IUPAC Name]
7-Butyl-1-[(4-méthylphényl)sulfonyl]-4-(triméthylsilyl)-2,3,4,5,6,7-hexahydro-1H-indole-5-carbonitrile [French] [ACD/IUPAC Name]
exo-7-Butyl-1-tosyl-4-(trimethylsilyl)-2,3,4,5,6,7-hexahydro-1H-indole-5-carbonitrile

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

Density: 1.1±0.1 g/cm3
Boiling Point: 557.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.0±3.0 kJ/mol
Flash Point: 291.1±32.9 °C
Index of Refraction: 1.557
Molar Refractivity: 122.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.06
ACD/LogD (pH 5.5): 6.86
ACD/BCF (pH 5.5): 95659.20
ACD/KOC (pH 5.5): 127874.34
ACD/LogD (pH 7.4): 6.86
ACD/BCF (pH 7.4): 95659.20
ACD/KOC (pH 7.4): 127874.34
Polar Surface Area: 70 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 43.4±5.0 dyne/cm
Molar Volume: 379.4±5.0 cm3

Click to predict properties on the Chemicalize site


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