ChemSpider 2D Image | [5-(2-Furylmethyl)-2-thienyl]methyl 3-methyl-2-(4-methylphenyl)butanoate | C22H24O3S

[5-(2-Furylmethyl)-2-thienyl]methyl 3-methyl-2-(4-methylphenyl)butanoate

  • Molecular FormulaC22H24O3S
  • Average mass368.489 Da
  • Monoisotopic mass368.144623 Da
  • ChemSpider ID21245041

More details:






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

[5-(2-Furylmethyl)-2-thienyl]methyl 3-methyl-2-(4-methylphenyl)butanoate [ACD/IUPAC Name]
[5-(2-Furylmethyl)-2-thienyl]methyl-3-methyl-2-(4-methylphenyl)butanoat [German] [ACD/IUPAC Name]
3-Méthyl-2-(4-méthylphényl)butanoate de [5-(2-furylméthyl)-2-thiényl]méthyle [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-methyl-α-(1-methylethyl)-, [5-(2-furanylmethyl)-2-thienyl]methyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 465.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.7±3.0 kJ/mol
Flash Point: 235.1±27.3 °C
Index of Refraction: 1.569
Molar Refractivity: 105.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.26
ACD/LogD (pH 5.5): 6.01
ACD/BCF (pH 5.5): 21592.43
ACD/KOC (pH 5.5): 44063.47
ACD/LogD (pH 7.4): 6.01
ACD/BCF (pH 7.4): 21592.43
ACD/KOC (pH 7.4): 44063.47
Polar Surface Area: 68 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 42.7±3.0 dyne/cm
Molar Volume: 321.5±3.0 cm3

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