ChemSpider 2D Image | Methyl 4-{3-[(1E,3E,5E,8E)-(13,13,14,14,14-~2~H_5_)-1,3,5,8-tetradecatetraen-1-yl]-2-oxiranyl}butanoate | C21H27D5O3

Methyl 4-{3-[(1E,3E,5E,8E)-(13,13,14,14,14-2H5)-1,3,5,8-tetradecatetraen-1-yl]-2-oxiranyl}butanoate

  • Molecular FormulaC21H27D5O3
  • Average mass337.508 Da
  • Monoisotopic mass337.266541 Da
  • ChemSpider ID111133624

  • 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

2-Oxiranebutanoic acid, 3-[(1E,3E,5E,8E)-1,3,5,8-tetradecatetraen-1-yl-13,13,14,14,14-d5]-, methyl ester [ACD/Index Name]
4-{3-[(1E,3E,5E,8E)-(13,13,14,14,14-2H5)-1,3,5,8-Tétradécatétraén-1-yl]-2-oxiranyl}butanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-{3-[(1E,3E,5E,8E)-(13,13,14,14,14-2H5)-1,3,5,8-tetradecatetraen-1-yl]-2-oxiranyl}butanoate [ACD/IUPAC Name]
Methyl-4-{3-[(1E,3E,5E,8E)-(13,13,14,14,14-2H5)-1,3,5,8-tetradecatetraen-1-yl]-2-oxiranyl}butanoat [German] [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: 442.5±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.0±3.0 kJ/mol
Flash Point: 167.7±8.1 °C
Index of Refraction: 1.529
Molar Refractivity: 102.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 5.51
ACD/LogD (pH 5.5): 5.71
ACD/BCF (pH 5.5): 12776.56
ACD/KOC (pH 5.5): 30266.31
ACD/LogD (pH 7.4): 5.71
ACD/BCF (pH 7.4): 12776.56
ACD/KOC (pH 7.4): 30266.31
Polar Surface Area: 39 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 37.6±3.0 dyne/cm
Molar Volume: 333.2±3.0 cm3

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