ChemSpider 2D Image | 2-[(2-Isopropyl-5-methylcyclohexyl)oxy]-2-oxoethyl 2-({[2-methyl-5-(2-methyl-2-propanyl)phenyl]sulfonyl}amino)benzoate | C30H41NO6S

2-[(2-Isopropyl-5-methylcyclohexyl)oxy]-2-oxoethyl 2-({[2-methyl-5-(2-methyl-2-propanyl)phenyl]sulfonyl}amino)benzoate

  • Molecular FormulaC30H41NO6S
  • Average mass543.715 Da
  • Monoisotopic mass543.265442 Da
  • ChemSpider ID2527987

More details:

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

2-({[2-Méthyl-5-(2-méthyl-2-propanyl)phényl]sulfonyl}amino)benzoate de 2-[(2-isopropyl-5-méthylcyclohexyl)oxy]-2-oxoéthyle [French] [ACD/IUPAC Name]
2-[(2-Isopropyl-5-methylcyclohexyl)oxy]-2-oxoethyl 2-({[2-methyl-5-(2-methyl-2-propanyl)phenyl]sulfonyl}amino)benzoate [ACD/IUPAC Name]
2-[(2-Isopropyl-5-methylcyclohexyl)oxy]-2-oxoethyl-2-({[2-methyl-5-(2-methyl-2-propanyl)phenyl]sulfonyl}amino)benzoat [German] [ACD/IUPAC Name]
Benzoic acid, 2-[[[5-(1,1-dimethylethyl)-2-methylphenyl]sulfonyl]amino]-, 2-[[5-methyl-2-(1-methylethyl)cyclohexyl]oxy]-2-oxoethyl ester [ACD/Index 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: 653.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.3±3.0 kJ/mol
Flash Point: 349.1±34.3 °C
Index of Refraction: 1.564
Molar Refractivity: 148.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 9.39
ACD/LogD (pH 5.5): 8.14
ACD/BCF (pH 5.5): 908975.88
ACD/KOC (pH 5.5): 640049.25
ACD/LogD (pH 7.4): 8.03
ACD/BCF (pH 7.4): 694889.25
ACD/KOC (pH 7.4): 489301.59
Polar Surface Area: 107 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 49.0±5.0 dyne/cm
Molar Volume: 457.6±5.0 cm3

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