ChemSpider 2D Image | (4E)-4-Methyl-6-{7-methyl-4,6-bis[(~2~H_3_)methyloxy]-3-oxo-1,3-dihydro-2-benzofuran-5-yl}-4-hexenoic acid | C18H16D6O6

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

  • Molecular FormulaC18H16D6O6
  • Average mass340.401 Da
  • Monoisotopic mass340.179291 Da
  • ChemSpider ID58780134

  • 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)-4-Methyl-6-{7-methyl-4,6-bis[(2H3)methyloxy]-3-oxo-1,3-dihydro-2-benzofuran-5-yl}-4-hexenoic acid [ACD/IUPAC Name]
(4E)-4-Methyl-6-{7-methyl-4,6-bis[(2H3)methyloxy]-3-oxo-1,3-dihydro-2-benzofuran-5-yl}-4-hexensäure [German] [ACD/IUPAC Name]
4-Hexenoic acid, 6-[1,3-dihydro-7-methyl-4,6-bis(methyl-d3-oxy)-3-oxo-5-isobenzofuranyl]-4-methyl-, (4E)- [ACD/Index Name]
Acide (4E)-4-méthyl-6-{7-méthyl-4,6-bis[(2H3)méthyloxy]-3-oxo-1,3-dihydro-2-benzofuran-5-yl}-4-hexénoïque [French] [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: 583.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.7±3.0 kJ/mol
Flash Point: 211.3±23.6 °C
Index of Refraction: 1.555
Molar Refractivity: 87.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 15.73
ACD/KOC (pH 5.5): 143.15
ACD/LogD (pH 7.4): 0.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.27
Polar Surface Area: 82 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 273.7±3.0 cm3

Click to predict properties on the Chemicalize site


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