Found 85 results

Search term: MF = 'C_{21}H_{22}O_{3}S'
ChemSpider 2D Image | 2-Cyclohexyl-2-oxoethyl (2Z)-3-phenyl-2-(2-thienyl)acrylate | C21H22O3S

2-Cyclohexyl-2-oxoethyl (2Z)-3-phenyl-2-(2-thienyl)acrylate

  • Molecular FormulaC21H22O3S
  • Average mass354.463 Da
  • Monoisotopic mass354.128967 Da
  • ChemSpider ID22878999

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-3-Phényl-2-(2-thiényl)acrylate de 2-cyclohexyl-2-oxoéthyle [French] [ACD/IUPAC Name]
2-Cyclohexyl-2-oxoethyl (2Z)-3-phenyl-2-(2-thienyl)acrylate [ACD/IUPAC Name]
2-Cyclohexyl-2-oxoethyl-(2Z)-3-phenyl-2-(2-thienyl)acrylat [German] [ACD/IUPAC Name]
2-Thiopheneacetic acid, α-(phenylmethylene)-, 2-cyclohexyl-2-oxoethyl ester, (αZ)- [ACD/Index 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: 504.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.4±3.0 kJ/mol
Flash Point: 258.7±30.1 °C
Index of Refraction: 1.608
Molar Refractivity: 101.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.08
ACD/LogD (pH 5.5): 4.78
ACD/BCF (pH 5.5): 2534.25
ACD/KOC (pH 5.5): 9507.59
ACD/LogD (pH 7.4): 4.78
ACD/BCF (pH 7.4): 2534.25
ACD/KOC (pH 7.4): 9507.59
Polar Surface Area: 72 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 294.6±3.0 cm3

Click to predict properties on the Chemicalize site


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