ChemSpider 2D Image | N-[4-(3-{4-[(3-Hydroxy-4,4-dimethyl-2-pentanyl)oxy]-3-methylphenyl}-3-pentanyl)-2-methylbenzyl]-2-propanesulfonamide | C30H47NO4S

N-[4-(3-{4-[(3-Hydroxy-4,4-dimethyl-2-pentanyl)oxy]-3-methylphenyl}-3-pentanyl)-2-methylbenzyl]-2-propanesulfonamide

  • Molecular FormulaC30H47NO4S
  • Average mass517.763 Da
  • Monoisotopic mass517.322571 Da
  • ChemSpider ID8544778

More details:

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

2-Propanesulfonamide, N-[[4-[1-ethyl-1-[4-(2-hydroxy-1,3,3-trimethylbutoxy)-3-methylphenyl]propyl]-2-methylphenyl]methyl]- [ACD/Index Name]
N-[4-(3-{4-[(3-Hydroxy-4,4-dimethyl-2-pentanyl)oxy]-3-methylphenyl}-3-pentanyl)-2-methylbenzyl]-2-propanesulfonamide [ACD/IUPAC Name]
N-[4-(3-{4-[(3-Hydroxy-4,4-diméthyl-2-pentanyl)oxy]-3-méthylphényl}-3-pentanyl)-2-méthylbenzyl]-2-propanesulfonamide [French] [ACD/IUPAC Name]
N-[4-(3-{4-[(3-Hydroxy-4,4-dimethyl-2-pentanyl)oxy]-3-methylphenyl}-3-pentanyl)-2-methylbenzyl]-2-propansulfonamid [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: 622.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.0±3.0 kJ/mol
Flash Point: 330.3±34.3 °C
Index of Refraction: 1.532
Molar Refractivity: 150.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.24
ACD/LogD (pH 5.5): 6.79
ACD/BCF (pH 5.5): 85302.56
ACD/KOC (pH 5.5): 117804.46
ACD/LogD (pH 7.4): 6.79
ACD/BCF (pH 7.4): 85273.91
ACD/KOC (pH 7.4): 117764.89
Polar Surface Area: 84 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 38.7±3.0 dyne/cm
Molar Volume: 485.7±3.0 cm3

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