ChemSpider 2D Image | Methyl 4-[(1E)-2-acetyl-4-oxo-1-undecen-1-yl]-6-propylnicotinate | C23H33NO4

Methyl 4-[(1E)-2-acetyl-4-oxo-1-undecen-1-yl]-6-propylnicotinate

  • Molecular FormulaC23H33NO4
  • Average mass387.512 Da
  • Monoisotopic mass387.240967 Da
  • ChemSpider ID78435584

  • Double-bond stereo - Double-bond stereo

More details:

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

3-Pyridinecarboxylic acid, 4-[(1E)-2-acetyl-4-oxo-1-undecen-1-yl]-6-propyl-, methyl ester [ACD/Index Name]
4-[(1E)-2-Acétyl-4-oxo-1-undécén-1-yl]-6-propylnicotinate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-[(1E)-2-acetyl-4-oxo-1-undecen-1-yl]-6-propylnicotinate [ACD/IUPAC Name]
Methyl-4-[(1E)-2-acetyl-4-oxo-1-undecen-1-yl]-6-propylnicotinat [German] [ACD/IUPAC Name]
methyl 4‐[(E)‐2‐acetyl‐4‐oxoundec‐1‐enyl]‐6‐propylnicotinate

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

Density: 1.0±0.1 g/cm3
Boiling Point: 548.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 285.6±30.1 °C
Index of Refraction: 1.520
Molar Refractivity: 112.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 5.90
ACD/LogD (pH 5.5): 5.62
ACD/BCF (pH 5.5): 10976.20
ACD/KOC (pH 5.5): 27061.39
ACD/LogD (pH 7.4): 5.63
ACD/BCF (pH 7.4): 11099.32
ACD/KOC (pH 7.4): 27364.93
Polar Surface Area: 73 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 370.0±3.0 cm3

Click to predict properties on the Chemicalize site


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