ChemSpider 2D Image | 3-Methyl-4-[(~2~H_3_)methyloxy]-6-[(1E,7E,9E)-1,7,9-undecatrien-1-yl]-2H-pyran-2-one | C18H21D3O3

3-Methyl-4-[(2H3)methyloxy]-6-[(1E,7E,9E)-1,7,9-undecatrien-1-yl]-2H-pyran-2-one

  • Molecular FormulaC18H21D3O3
  • Average mass291.400 Da
  • Monoisotopic mass291.191376 Da
  • ChemSpider ID9002742

  • 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

2H-Pyran-2-one, 3-methyl-4-(methyl-d3-oxy)-6-[(1E,7E,9E)-1,7,9-undecatrien-1-yl]- [ACD/Index Name]
3-Methyl-4-[(2H3)methyloxy]-6-[(1E,7E,9E)-1,7,9-undecatrien-1-yl]-2H-pyran-2-on [German] [ACD/IUPAC Name]
3-Methyl-4-[(2H3)methyloxy]-6-[(1E,7E,9E)-1,7,9-undecatrien-1-yl]-2H-pyran-2-one [ACD/IUPAC Name]
3-Méthyl-4-[(2H3)méthyloxy]-6-[(1E,7E,9E)-1,7,9-undécatrién-1-yl]-2H-pyran-2-one [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 445.2±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.3±3.0 kJ/mol
Flash Point: 190.5±21.4 °C
Index of Refraction: 1.521
Molar Refractivity: 85.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.58
ACD/LogD (pH 5.5): 4.44
ACD/BCF (pH 5.5): 1385.44
ACD/KOC (pH 5.5): 6170.87
ACD/LogD (pH 7.4): 4.44
ACD/BCF (pH 7.4): 1385.44
ACD/KOC (pH 7.4): 6170.87
Polar Surface Area: 36 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 36.9±5.0 dyne/cm
Molar Volume: 281.7±5.0 cm3

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