ChemSpider 2D Image | Methyl 4-[4-methoxy-3-(3-methoxypropoxy)benzyl]-5-methyl-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)hexanoate | C25H41NO7

Methyl 4-[4-methoxy-3-(3-methoxypropoxy)benzyl]-5-methyl-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)hexanoate

  • Molecular FormulaC25H41NO7
  • Average mass467.595 Da
  • Monoisotopic mass467.288300 Da
  • ChemSpider ID114989696

More details:

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

4-[4-Méthoxy-3-(3-méthoxypropoxy)benzyl]-5-méthyl-2-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)hexanoate de méthyle [French] [ACD/IUPAC Name]
Benzenepentanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-4-methoxy-3-(3-methoxypropoxy)-γ-(1-methylethyl)-, methyl ester [ACD/Index Name]
Methyl 4-[4-methoxy-3-(3-methoxypropoxy)benzyl]-5-methyl-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)hexanoate [ACD/IUPAC Name]
Methyl-4-[4-methoxy-3-(3-methoxypropoxy)benzyl]-5-methyl-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)hexanoat [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: 562.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.6±3.0 kJ/mol
Flash Point: 294.2±30.1 °C
Index of Refraction: 1.489
Molar Refractivity: 127.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 5.21
ACD/LogD (pH 5.5): 4.91
ACD/BCF (pH 5.5): 3164.89
ACD/KOC (pH 5.5): 11146.82
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 3164.28
ACD/KOC (pH 7.4): 11144.67
Polar Surface Area: 92 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 35.7±3.0 dyne/cm
Molar Volume: 441.2±3.0 cm3

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