ChemSpider 2D Image | Methyl 4-(7-butoxy-6-ethyl-2-methyl-4-oxo-4H-chromen-3-yl)-5-methyl-2-furoate | C23H26O6

Methyl 4-(7-butoxy-6-ethyl-2-methyl-4-oxo-4H-chromen-3-yl)-5-methyl-2-furoate

  • Molecular FormulaC23H26O6
  • Average mass398.449 Da
  • Monoisotopic mass398.172943 Da
  • ChemSpider ID21669506

More details:

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

2-Furancarboxylic acid, 4-(7-butoxy-6-ethyl-2-methyl-4-oxo-4H-1-benzopyran-3-yl)-5-methyl-, methyl ester [ACD/Index Name]
4-(7-Butoxy-6-éthyl-2-méthyl-4-oxo-4H-chromén-3-yl)-5-méthyl-2-furoate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-(7-butoxy-6-ethyl-2-methyl-4-oxo-4H-chromen-3-yl)-5-methyl-2-furoate [ACD/IUPAC Name]
Methyl-4-(7-butoxy-6-ethyl-2-methyl-4-oxo-4H-chromen-3-yl)-5-methyl-2-furoat [German] [ACD/IUPAC Name]
methyl 4-(7-butoxy-6-ethyl-2-methyl-4-oxo-4H-chromen-3-yl)-5-methylfuran-2-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: 551.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.1±3.0 kJ/mol
Flash Point: 287.1±30.1 °C
Index of Refraction: 1.547
Molar Refractivity: 107.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.99
ACD/LogD (pH 5.5): 5.41
ACD/BCF (pH 5.5): 7543.81
ACD/KOC (pH 5.5): 20757.27
ACD/LogD (pH 7.4): 5.41
ACD/BCF (pH 7.4): 7543.81
ACD/KOC (pH 7.4): 20757.27
Polar Surface Area: 75 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 340.6±3.0 cm3

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