ChemSpider 2D Image | 14,15-EE-5(Z)-E | C20H36O3

14,15-EE-5(Z)-E

  • Molecular FormulaC20H36O3
  • Average mass324.498 Da
  • Monoisotopic mass324.266449 Da
  • ChemSpider ID29341676
  • 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

(5Z)-13-[(2S,3R)-3-Pentyl-2-oxiranyl]-5-tridecenoic acid [ACD/IUPAC Name]
(5Z)-13-[(2S,3R)-3-Pentyl-2-oxiranyl]-5-tridecensäure [German] [ACD/IUPAC Name]
14,15-EE-5(Z)-E
519038-92-7 [RN]
5-Tridecenoic acid, 13-[(2S,3R)-3-pentyloxiranyl]-, (5Z)- [ACD/Index Name]
Acide (5Z)-13-[(2S,3R)-3-pentyl-2-oxiranyl]-5-tridécénoïque [French] [ACD/IUPAC Name]
(Z)-13-[(2S,3R)-3-pentyloxiran-2-yl]tridec-5-enoic acid
13-[(2R,3S)-3-pentyloxiranyl]-5Z-tridecenoic acid

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

Density: 1.0±0.1 g/cm3
Boiling Point: 452.4±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 78.0±6.0 kJ/mol
Flash Point: 148.7±14.7 °C
Index of Refraction: 1.478
Molar Refractivity: 96.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 6.71
ACD/LogD (pH 5.5): 5.43
ACD/BCF (pH 5.5): 5065.37
ACD/KOC (pH 5.5): 9192.42
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 81.02
ACD/KOC (pH 7.4): 147.03
Polar Surface Area: 50 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 37.6±3.0 dyne/cm
Molar Volume: 338.8±3.0 cm3

Click to predict properties on the Chemicalize site






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