ChemSpider 2D Image | 5-Ethyl-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-oxo-1,5-diazacycloundecane-6-carboxylic acid | C17H30N2O5

5-Ethyl-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-oxo-1,5-diazacycloundecane-6-carboxylic acid

  • Molecular FormulaC17H30N2O5
  • Average mass342.431 Da
  • Monoisotopic mass342.215485 Da
  • ChemSpider ID53585759

More details:

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

1,5-Diazacycloundecane-1,6-dicarboxylic acid, 5-ethyl-4-oxo-, 1-(1,1-dimethylethyl) ester [ACD/Index Name]
5-Ethyl-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-oxo-1,5-diazacycloundecan-6-carbonsäure [German] [ACD/IUPAC Name]
5-Ethyl-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-oxo-1,5-diazacycloundecane-6-carboxylic acid [ACD/IUPAC Name]
Acide 5-éthyl-1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-4-oxo-1,5-diazacycloundécane-6-carboxylique [French] [ACD/IUPAC Name]
1-(tert-butoxycarbonyl)-5-ethyl-4-oxo-1,5-diazacycloundecane-6-carboxylic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 515.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 86.1±6.0 kJ/mol
Flash Point: 265.4±30.1 °C
Index of Refraction: 1.485
Molar Refractivity: 89.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.73
ACD/LogD (pH 5.5): 0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.17
ACD/LogD (pH 7.4): -1.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 87 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 310.8±3.0 cm3

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