Found 126 results

Search term: MF = 'C_{20}H_{31}NO_{6}S'
ChemSpider 2D Image | 4-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)cyclohexyl 4-isopropoxybenzenesulfonate | C20H31NO6S

4-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)cyclohexyl 4-isopropoxybenzenesulfonate

  • Molecular FormulaC20H31NO6S
  • Average mass413.528 Da
  • Monoisotopic mass413.187195 Da
  • ChemSpider ID59236405

More details:

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

4-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)cyclohexyl 4-isopropoxybenzenesulfonate [ACD/IUPAC Name]
4-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)cyclohexyl-4-isopropoxybenzolsulfonat [German] [ACD/IUPAC Name]
4-Isopropoxybenzènesulfonate de 4-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)cyclohexyle [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 4-(1-methylethoxy)-, 4-[[(1,1-dimethylethoxy)carbonyl]amino]cyclohexyl 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: 539.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.7±3.0 kJ/mol
Flash Point: 280.2±30.1 °C
Index of Refraction: 1.536
Molar Refractivity: 107.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 678.24
ACD/KOC (pH 5.5): 3700.90
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 678.23
ACD/KOC (pH 7.4): 3700.81
Polar Surface Area: 99 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 46.2±5.0 dyne/cm
Molar Volume: 344.2±5.0 cm3

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