ChemSpider 2D Image | 7-(1,3-Dioxolan-2-yl)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)heptanoic acid | C15H27NO6

7-(1,3-Dioxolan-2-yl)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)heptanoic acid

  • Molecular FormulaC15H27NO6
  • Average mass317.378 Da
  • Monoisotopic mass317.183838 Da
  • ChemSpider ID71097016

More details:

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

1,3-Dioxolane-2-heptanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]- [ACD/Index Name]
7-(1,3-Dioxolan-2-yl)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)heptanoic acid [ACD/IUPAC Name]
7-(1,3-Dioxolan-2-yl)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)heptansäure [German] [ACD/IUPAC Name]
Acide 7-(1,3-dioxolan-2-yl)-2-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)heptanoïque [French] [ACD/IUPAC Name]
2-{[(tert-butoxy)carbonyl]amino}-7-(1,3-dioxolan-2-yl)heptanoic acid
2253639-18-6 [RN]
MFCD31719483

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

Density: 1.1±0.1 g/cm3
Boiling Point: 466.3±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 79.8±6.0 kJ/mol
Flash Point: 235.8±24.6 °C
Index of Refraction: 1.479
Molar Refractivity: 79.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 1.71
ACD/LogD (pH 5.5): -0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.59
ACD/LogD (pH 7.4): -1.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 94 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 280.8±3.0 cm3

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