ChemSpider 2D Image | 2-Isopropyl-5-methylcyclohexyl 2-({1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-1,4-dihydro-3-pyridinyl}oxy)propanoate | C28H39NO6

2-Isopropyl-5-methylcyclohexyl 2-({1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-1,4-dihydro-3-pyridinyl}oxy)propanoate

  • Molecular FormulaC28H39NO6
  • Average mass485.612 Da
  • Monoisotopic mass485.277740 Da
  • ChemSpider ID30882536

More details:

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

2-({1-[2-(4-Méthoxyphénoxy)éthyl]-2-méthyl-4-oxo-1,4-dihydro-3-pyridinyl}oxy)propanoate de 2-isopropyl-5-méthylcyclohexyle [French] [ACD/IUPAC Name]
2-Isopropyl-5-methylcyclohexyl 2-({1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-1,4-dihydro-3-pyridinyl}oxy)propanoate [ACD/IUPAC Name]
2-Isopropyl-5-methylcyclohexyl-2-({1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-1,4-dihydro-3-pyridinyl}oxy)propanoat [German] [ACD/IUPAC Name]
Propanoic acid, 2-[[1,4-dihydro-1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]-, 5-methyl-2-(1-methylethyl)cyclohexyl 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: 608.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.3±3.0 kJ/mol
Flash Point: 321.5±31.5 °C
Index of Refraction: 1.549
Molar Refractivity: 134.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 6.53
ACD/LogD (pH 5.5): 5.81
ACD/BCF (pH 5.5): 15246.14
ACD/KOC (pH 5.5): 34346.54
ACD/LogD (pH 7.4): 5.81
ACD/BCF (pH 7.4): 15247.44
ACD/KOC (pH 7.4): 34349.48
Polar Surface Area: 74 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 45.2±5.0 dyne/cm
Molar Volume: 424.2±5.0 cm3

Click to predict properties on the Chemicalize site


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