ChemSpider 2D Image | 3-[(9E,12E)-9,12-Octadecadien-1-yloxy]-4-(trimethylammonio)butanoate | C25H47NO3

3-[(9E,12E)-9,12-Octadecadien-1-yloxy]-4-(trimethylammonio)butanoate

  • Molecular FormulaC25H47NO3
  • Average mass409.646 Da
  • Monoisotopic mass409.355591 Da
  • ChemSpider ID60499070

  • Double-bond stereo - Double-bond stereo

More details:

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

1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-[(9E,12E)-9,12-octadecadien-1-yloxy]-, inner salt [ACD/Index Name]
3-[(9E,12E)-9,12-Octadecadien-1-yloxy]-4-(trimethylammonio)butanoat [German] [ACD/IUPAC Name]
3-[(9E,12E)-9,12-Octadecadien-1-yloxy]-4-(trimethylammonio)butanoate [ACD/IUPAC Name]
3-[(9E,12E)-9,12-Octadécadién-1-yloxy]-4-(triméthylammonio)butanoate [French] [ACD/IUPAC Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 1
ACD/LogP: 5.19
ACD/LogD (pH 5.5): 3.74
ACD/BCF (pH 5.5): 572.97
ACD/KOC (pH 5.5): 4840.45
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 579.96
ACD/KOC (pH 7.4): 4899.48
Polar Surface Area: 49 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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