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Search term: 113369138 (Found by CSID)
ChemSpider 2D Image | Methyl 4-{(2R,3R)-3-[(3E)-3-tetradecen-1-yn-1-yl]-2-oxiranyl}butanoate | C21H34O3

Methyl 4-{(2R,3R)-3-[(3E)-3-tetradecen-1-yn-1-yl]-2-oxiranyl}butanoate

  • Molecular FormulaC21H34O3
  • Average mass334.493 Da
  • Monoisotopic mass334.250793 Da
  • ChemSpider ID113369138

  • 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

2-Oxiranebutanoic acid, 3-[(3E)-3-tetradecen-1-yn-1-yl]-, methyl ester, (2R,3R)- [ACD/Index Name]
4-{(2R,3R)-3-[(3E)-3-Tétradécén-1-yn-1-yl]-2-oxiranyl}butanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-{(2R,3R)-3-[(3E)-3-tetradecen-1-yn-1-yl]-2-oxiranyl}butanoate [ACD/IUPAC Name]
Methyl-4-{(2R,3R)-3-[(3E)-3-tetradecen-1-in-1-yl]-2-oxiranyl}butanoat [German] [ACD/IUPAC Name]
methyl 5R,6R-epoxy-9E-eicosen-7-ynoate

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

Density: 1.0±0.1 g/cm3
Boiling Point: 428.6±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.4±3.0 kJ/mol
Flash Point: 182.7±21.4 °C
Index of Refraction: 1.489
Molar Refractivity: 98.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 6.91
ACD/LogD (pH 5.5): 6.52
ACD/BCF (pH 5.5): 53087.96
ACD/KOC (pH 5.5): 83894.54
ACD/LogD (pH 7.4): 6.52
ACD/BCF (pH 7.4): 53087.96
ACD/KOC (pH 7.4): 83894.54
Polar Surface Area: 39 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 37.9±5.0 dyne/cm
Molar Volume: 342.0±5.0 cm3

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