Found 85 results

Search term: MF = 'C_{21}H_{22}O_{3}S'
ChemSpider 2D Image | Ethyl 4-(4-ethylphenyl)-2-oxo-6-(2-thienyl)-3-cyclohexene-1-carboxylate | C21H22O3S

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

  • Molecular FormulaC21H22O3S
  • Average mass354.463 Da
  • Monoisotopic mass354.128967 Da
  • ChemSpider ID65257165

More details:

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

3-Cyclohexene-1-carboxylic acid, 4-(4-ethylphenyl)-2-oxo-6-(2-thienyl)-, ethyl ester [ACD/Index Name]
4-(4-Éthylphényl)-2-oxo-6-(2-thiényl)-3-cyclohexène-1-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-(4-ethylphenyl)-2-oxo-6-(2-thienyl)-3-cyclohexene-1-carboxylate [ACD/IUPAC Name]
Ethyl-4-(4-ethylphenyl)-2-oxo-6-(2-thienyl)-3-cyclohexen-1-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 473.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.6±3.0 kJ/mol
Flash Point: 239.9±28.7 °C
Index of Refraction: 1.582
Molar Refractivity: 99.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.32
ACD/LogD (pH 5.5): 4.79
ACD/BCF (pH 5.5): 2559.97
ACD/KOC (pH 5.5): 9576.41
ACD/LogD (pH 7.4): 4.78
ACD/BCF (pH 7.4): 2548.35
ACD/KOC (pH 7.4): 9532.97
Polar Surface Area: 72 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 299.0±3.0 cm3

Click to predict properties on the Chemicalize site


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