ChemSpider 2D Image | 4-(1,3-Benzodioxol-5-ylmethyl)-3-{3,4-bis[(~2~H_3_)methyloxy]benzyl}dihydro-2(3H)-furanone | C21H16D6O6

4-(1,3-Benzodioxol-5-ylmethyl)-3-{3,4-bis[(2H3)methyloxy]benzyl}dihydro-2(3H)-furanone

  • Molecular FormulaC21H16D6O6
  • Average mass376.433 Da
  • Monoisotopic mass376.179291 Da
  • ChemSpider ID9058595

  • Non-standard isotope - Non-standard isotope

More details:

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

2(3H)-Furanone, 4-(1,3-benzodioxol-5-ylmethyl)-3-[[3,4-bis(methyl-d3-oxy)phenyl]methyl]dihydro- [ACD/Index Name]
4-(1,3-Benzodioxol-5-ylmethyl)-3-{3,4-bis[(2H3)methyloxy]benzyl}dihydro-2(3H)-furanon [German] [ACD/IUPAC Name]
4-(1,3-Benzodioxol-5-ylmethyl)-3-{3,4-bis[(2H3)methyloxy]benzyl}dihydro-2(3H)-furanone [ACD/IUPAC Name]
4-(1,3-Benzodioxol-5-ylméthyl)-3-{3,4-bis[(2H3)méthyloxy]benzyl}dihydro-2(3H)-furanone [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 543.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.2±3.0 kJ/mol
Flash Point: 238.5±28.8 °C
Index of Refraction: 1.586
Molar Refractivity: 98.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.36
ACD/LogD (pH 5.5): 3.09
ACD/BCF (pH 5.5): 131.70
ACD/KOC (pH 5.5): 1144.98
ACD/LogD (pH 7.4): 3.09
ACD/BCF (pH 7.4): 131.70
ACD/KOC (pH 7.4): 1144.98
Polar Surface Area: 63 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 292.0±3.0 cm3

Click to predict properties on the Chemicalize site


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