ChemSpider 2D Image | Ethyl 1-[(2E)-4-methyl-2-pentenoyl]-4-(tetrahydro-2H-pyran-2-ylmethyl)-4-piperidinecarboxylate | C20H33NO4

Ethyl 1-[(2E)-4-methyl-2-pentenoyl]-4-(tetrahydro-2H-pyran-2-ylmethyl)-4-piperidinecarboxylate

  • Molecular FormulaC20H33NO4
  • Average mass351.480 Da
  • Monoisotopic mass351.240967 Da
  • ChemSpider ID22867662

  • Double-bond stereo - Double-bond stereo

More details:

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

1-[(2E)-4-Méthyl-2-pentenoyl]-4-(tétrahydro-2H-pyran-2-ylméthyl)-4-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[(2E)-4-methyl-1-oxo-2-penten-1-yl]-4-[(tetrahydro-2H-pyran-2-yl)methyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-[(2E)-4-methyl-2-pentenoyl]-4-(tetrahydro-2H-pyran-2-ylmethyl)-4-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-[(2E)-4-methyl-2-pentenoyl]-4-(tetrahydro-2H-pyran-2-ylmethyl)-4-piperidincarboxylat [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: 487.0±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.3±3.0 kJ/mol
Flash Point: 248.3±26.8 °C
Index of Refraction: 1.497
Molar Refractivity: 97.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.92
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 145.43
ACD/KOC (pH 5.5): 1229.27
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 145.43
ACD/KOC (pH 7.4): 1229.27
Polar Surface Area: 56 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 38.7±3.0 dyne/cm
Molar Volume: 332.5±3.0 cm3

Click to predict properties on the Chemicalize site


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