ChemSpider 2D Image | (11Z)-13-[(2S,3R)-3-Pentyl-2-oxiranyl]-11-tridecenoic acid | C20H36O3

(11Z)-13-[(2S,3R)-3-Pentyl-2-oxiranyl]-11-tridecenoic acid

  • Molecular FormulaC20H36O3
  • Average mass324.498 Da
  • Monoisotopic mass324.266449 Da
  • ChemSpider ID24841875
  • 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

(11Z)-13-[(2S,3R)-3-Pentyl-2-oxiranyl]-11-tridecenoic acid [ACD/IUPAC Name]
(11Z)-13-[(2S,3R)-3-Pentyl-2-oxiranyl]-11-tridecensäure [German] [ACD/IUPAC Name]
11-Tridecenoic acid, 13-[(2S,3R)-3-pentyloxiranyl]-, (11Z)- [ACD/Index Name]
Acide (11Z)-13-[(2S,3R)-3-pentyl-2-oxiranyl]-11-tridécénoïque [French] [ACD/IUPAC Name]
14S,15R-epoxy-11Z-eicosenoic acid
Alchornic acid
Alchornoic acid

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

Density: 1.0±0.1 g/cm3
Boiling Point: 449.0±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 77.6±6.0 kJ/mol
Flash Point: 147.2±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: 6.96
ACD/LogD (pH 5.5): 5.69
ACD/BCF (pH 5.5): 7963.45
ACD/KOC (pH 5.5): 12812.76
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 127.74
ACD/KOC (pH 7.4): 205.53
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

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