ChemSpider 2D Image | (2S,3S,5E)-2-Acetamido-5,13-tetradecadien-3-yl acetate | C18H31NO3

(2S,3S,5E)-2-Acetamido-5,13-tetradecadien-3-yl acetate

  • Molecular FormulaC18H31NO3
  • Average mass309.444 Da
  • Monoisotopic mass309.230408 Da
  • ChemSpider ID27025989
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2S,3S,5E)-2-Acetamido-5,13-tetradecadien-3-yl acetate [ACD/IUPAC Name]
(2S,3S,5E)-2-Acetamido-5,13-tetradecadien-3-yl-acetat [German] [ACD/IUPAC Name]
Acetamide, N-[(1S,2S,4E)-2-(acetyloxy)-1-methyl-4,12-tridecadien-1-yl]- [ACD/Index Name]
Acétate de (2S,3S,5E)-2-acétamido-5,13-tétradécadién-3-yle [French] [ACD/IUPAC Name]
181523-09-1 [RN]
2-acetamido-3-acetoxy-5,13-tetradecadiene

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 447.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.6±3.0 kJ/mol
Flash Point: 224.5±28.7 °C
Index of Refraction: 1.470
Molar Refractivity: 90.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 4.39
ACD/BCF (pH 5.5): 1279.68
ACD/KOC (pH 5.5): 5829.90
ACD/LogD (pH 7.4): 4.39
ACD/BCF (pH 7.4): 1279.68
ACD/KOC (pH 7.4): 5829.91
Polar Surface Area: 55 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 32.9±3.0 dyne/cm
Molar Volume: 324.5±3.0 cm3

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