ChemSpider 2D Image | Methyl (2E,4R)-4-[(2-oxohexadecanoyl)amino]-2-octenoate | C25H45NO4

Methyl (2E,4R)-4-[(2-oxohexadecanoyl)amino]-2-octenoate

  • Molecular FormulaC25H45NO4
  • Average mass423.629 Da
  • Monoisotopic mass423.334869 Da
  • ChemSpider ID23269764

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2E,4R)-4-[(2-Oxohexadecanoyl)amino]-2-octénoate de méthyle [French] [ACD/IUPAC Name]
2-Octenoic acid, 4-[(1,2-dioxohexadecyl)amino]-, methyl ester, (2E,4R)- [ACD/Index Name]
Methyl (2E,4R)-4-[(2-oxohexadecanoyl)amino]-2-octenoate [ACD/IUPAC Name]
methyl (2E,4R)-4-[(2-oxohexadecanoyl)amino]oct-2-enoate
Methyl-(2E,4R)-4-[(2-oxohexadecanoyl)amino]-2-octenoat [German] [ACD/IUPAC Name]
4-(2-oxohexadecanoylamino)oct-2-enoic acid methyl ester

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

Density: 1.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.470
Molar Refractivity: 123.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 1
ACD/LogP: 8.57
ACD/LogD (pH 5.5): 7.94
ACD/BCF (pH 5.5): 636824.75
ACD/KOC (pH 5.5): 496692.22
ACD/LogD (pH 7.4): 7.94
ACD/BCF (pH 7.4): 636670.94
ACD/KOC (pH 7.4): 496572.25
Polar Surface Area: 72 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 35.0±3.0 dyne/cm
Molar Volume: 441.7±3.0 cm3

Click to predict properties on the Chemicalize site


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