ChemSpider 2D Image | Ethyl 4-(3-methoxyphenyl)-2-oxo-6-(3-thienyl)-3-cyclohexene-1-carboxylate | C20H20O4S

Ethyl 4-(3-methoxyphenyl)-2-oxo-6-(3-thienyl)-3-cyclohexene-1-carboxylate

  • Molecular FormulaC20H20O4S
  • Average mass356.435 Da
  • Monoisotopic mass356.108215 Da
  • ChemSpider ID23919542

More details:

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

3-Cyclohexene-1-carboxylic acid, 4-(3-methoxyphenyl)-2-oxo-6-(3-thienyl)-, ethyl ester [ACD/Index Name]
4-(3-Méthoxyphényl)-2-oxo-6-(3-thiényl)-3-cyclohexène-1-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-(3-methoxyphenyl)-2-oxo-6-(3-thienyl)-3-cyclohexene-1-carboxylate [ACD/IUPAC Name]
Ethyl-4-(3-methoxyphenyl)-2-oxo-6-(3-thienyl)-3-cyclohexen-1-carboxylat [German] [ACD/IUPAC Name]
551921-89-2 [RN]
CF-0758
ethyl 4-(3-methoxyphenyl)-2-oxo-6-(thiophen-3-yl)cyclohex-3-ene-1-carboxylate
MFCD03425710 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 489.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.6±3.0 kJ/mol
Flash Point: 249.9±28.7 °C
Index of Refraction: 1.583
Molar Refractivity: 96.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 4.15
ACD/BCF (pH 5.5): 834.84
ACD/KOC (pH 5.5): 4294.21
ACD/LogD (pH 7.4): 4.15
ACD/BCF (pH 7.4): 833.67
ACD/KOC (pH 7.4): 4288.17
Polar Surface Area: 81 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 290.2±3.0 cm3

Click to predict properties on the Chemicalize site


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