ChemSpider 2D Image | Ethyl 4-(tetrahydro-2H-pyran-2-ylmethyl)-1-[(2E)-3-(2-thienyl)-2-propenoyl]-4-piperidinecarboxylate | C21H29NO4S

Ethyl 4-(tetrahydro-2H-pyran-2-ylmethyl)-1-[(2E)-3-(2-thienyl)-2-propenoyl]-4-piperidinecarboxylate

  • Molecular FormulaC21H29NO4S
  • Average mass391.524 Da
  • Monoisotopic mass391.181732 Da
  • ChemSpider ID23036799

  • Double-bond stereo - Double-bond stereo

More details:

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

4-(Tétrahydro-2H-pyran-2-ylméthyl)-1-[(2E)-3-(2-thiényl)-2-propenoyl]-4-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[(2E)-1-oxo-3-(2-thienyl)-2-propen-1-yl]-4-[(tetrahydro-2H-pyran-2-yl)methyl]-, ethyl ester [ACD/Index Name]
Ethyl 4-(tetrahydro-2H-pyran-2-ylmethyl)-1-[(2E)-3-(2-thienyl)-2-propenoyl]-4-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-4-(tetrahydro-2H-pyran-2-ylmethyl)-1-[(2E)-3-(2-thienyl)-2-propenoyl]-4-piperidincarboxylat [German] [ACD/IUPAC Name]
ETHYL 4-(OXAN-2-YLMETHYL)-1-[(2E)-3-(THIOPHEN-2-YL)PROP-2-ENOYL]PIPERIDINE-4-CARBOXYLATE
ETHYL 4-[(OXAN-2-YL)METHYL]-1-[(2E)-3-(THIOPHEN-2-YL)PROP-2-ENOYL]PIPERIDINE-4-CARBOXYLATE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 557.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.9±3.0 kJ/mol
Flash Point: 291.0±30.1 °C
Index of Refraction: 1.566
Molar Refractivity: 107.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.47
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 215.56
ACD/KOC (pH 5.5): 1629.22
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 215.56
ACD/KOC (pH 7.4): 1629.22
Polar Surface Area: 84 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 47.8±3.0 dyne/cm
Molar Volume: 330.8±3.0 cm3

Click to predict properties on the Chemicalize site


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