ChemSpider 2D Image | 2-Methyl-2-propanyl (1-{octyl[2-oxo-2-(pentylamino)-1-(3-vinylphenyl)ethyl]amino}-1-oxo-3-sulfanyl-2-propanyl)carbamate | C31H51N3O4S

2-Methyl-2-propanyl (1-{octyl[2-oxo-2-(pentylamino)-1-(3-vinylphenyl)ethyl]amino}-1-oxo-3-sulfanyl-2-propanyl)carbamate

  • Molecular FormulaC31H51N3O4S
  • Average mass561.819 Da
  • Monoisotopic mass561.360046 Da
  • ChemSpider ID16550997

More details:

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

(1-{Octyl[2-oxo-2-(pentylamino)-1-(3-vinylphényl)éthyl]amino}-1-oxo-3-sulfanyl-2-propanyl)carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (1-{octyl[2-oxo-2-(pentylamino)-1-(3-vinylphenyl)ethyl]amino}-1-oxo-3-sulfanyl-2-propanyl)carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(1-{octyl[2-oxo-2-(pentylamino)-1-(3-vinylphenyl)ethyl]amino}-1-oxo-3-sulfanyl-2-propanyl)carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[2-[[1-(3-ethenylphenyl)-2-oxo-2-(pentylamino)ethyl]octylamino]-1-(mercaptomethyl)-2-oxoethyl]-, 1,1-dimethylethyl ester [ACD/Index 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: 680.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.9±3.0 kJ/mol
Flash Point: 365.6±34.3 °C
Index of Refraction: 1.530
Molar Refractivity: 163.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 10.54
ACD/LogD (pH 5.5): 8.13
ACD/BCF (pH 5.5): 578282.19
ACD/KOC (pH 5.5): 276881.63
ACD/LogD (pH 7.4): 7.98
ACD/BCF (pH 7.4): 408760.38
ACD/KOC (pH 7.4): 195714.55
Polar Surface Area: 134 Å2
Polarizability: 64.9±0.5 10-24cm3
Surface Tension: 36.8±7.0 dyne/cm
Molar Volume: 529.8±7.0 cm3

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