ChemSpider 2D Image | Bis(2-methyl-2-propanyl) 4-{3-[(2-methyl-2-propanyl)oxy]-3-oxopropyl}-4-(palmitoylamino)heptanedioate | C38H71NO7

Bis(2-methyl-2-propanyl) 4-{3-[(2-methyl-2-propanyl)oxy]-3-oxopropyl}-4-(palmitoylamino)heptanedioate

  • Molecular FormulaC38H71NO7
  • Average mass653.973 Da
  • Monoisotopic mass653.523071 Da
  • ChemSpider ID21122731

More details:

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

4-{3-[(2-Méthyl-2-propanyl)oxy]-3-oxopropyl}-4-(palmitoylamino)heptanedioate de bis(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl) 4-{3-[(2-methyl-2-propanyl)oxy]-3-oxopropyl}-4-(palmitoylamino)heptanedioate [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl)-4-{3-[(2-methyl-2-propanyl)oxy]-3-oxopropyl}-4-(palmitoylamino)heptandioat [German] [ACD/IUPAC Name]
Heptanedioic acid, 4-[3-(1,1-dimethylethoxy)-3-oxopropyl]-4-[(1-oxohexadecyl)amino]-, bis(1,1-dimethylethyl) ester [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 679.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.0±6.0 kJ/mol
Flash Point: 364.6±34.3 °C
Index of Refraction: 1.476
Molar Refractivity: 188.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 2
ACD/LogP: 12.12
ACD/LogD (pH 5.5): 10.05
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1475946.88
ACD/LogD (pH 7.4): 10.07
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1516709.75
Polar Surface Area: 111 Å2
Polarizability: 74.8±0.5 10-24cm3
Surface Tension: 33.2±7.0 dyne/cm
Molar Volume: 669.1±7.0 cm3

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