ChemSpider 2D Image | Methyl (4E)-6-{6-methoxy-7-methyl-4-[(~2~H_3_)methyloxy]-3-oxo-1,3-dihydro-2-benzofuran-5-yl}-4-methyl-4-hexenoate | C19H21D3O6

Methyl (4E)-6-{6-methoxy-7-methyl-4-[(2H3)methyloxy]-3-oxo-1,3-dihydro-2-benzofuran-5-yl}-4-methyl-4-hexenoate

  • Molecular FormulaC19H21D3O6
  • Average mass351.409 Da
  • Monoisotopic mass351.176117 Da
  • ChemSpider ID58794142

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

(4E)-6-{6-Méthoxy-7-méthyl-4-[(2H3)méthyloxy]-3-oxo-1,3-dihydro-2-benzofuran-5-yl}-4-méthyl-4-hexénoate de méthyle [French] [ACD/IUPAC Name]
4-Hexenoic acid, 6-[1,3-dihydro-6-methoxy-7-methyl-4-(methyl-d3-oxy)-3-oxo-5-isobenzofuranyl]-4-methyl-, methyl ester, (4E)- [ACD/Index Name]
Methyl (4E)-6-{6-methoxy-7-methyl-4-[(2H3)methyloxy]-3-oxo-1,3-dihydro-2-benzofuran-5-yl}-4-methyl-4-hexenoate [ACD/IUPAC Name]
Methyl-(4E)-6-{6-methoxy-7-methyl-4-[(2H3)methyloxy]-3-oxo-1,3-dihydro-2-benzofuran-5-yl}-4-methyl-4-hexenoat [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: 521.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.5±3.0 kJ/mol
Flash Point: 228.7±30.2 °C
Index of Refraction: 1.532
Molar Refractivity: 92.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 3.49
ACD/BCF (pH 5.5): 266.35
ACD/KOC (pH 5.5): 1895.59
ACD/LogD (pH 7.4): 3.49
ACD/BCF (pH 7.4): 266.35
ACD/KOC (pH 7.4): 1895.59
Polar Surface Area: 71 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 299.1±3.0 cm3

Click to predict properties on the Chemicalize site


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