ChemSpider 2D Image | (5E,8E,11E)-13-{(2S,3R)-3-[(2E)-2-Penten-1-yl]-2-oxiranyl}-5,8,11-tridecatrienoic acid | C20H30O3

(5E,8E,11E)-13-{(2S,3R)-3-[(2E)-2-Penten-1-yl]-2-oxiranyl}-5,8,11-tridecatrienoic acid

  • Molecular FormulaC20H30O3
  • Average mass318.450 Da
  • Monoisotopic mass318.219482 Da
  • ChemSpider ID95601893

  • 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

(5E,8E,11E)-13-{(2S,3R)-3-[(2E)-2-Penten-1-yl]-2-oxiranyl}-5,8,11-tridecatrienoic acid [ACD/IUPAC Name]
(5E,8E,11E)-13-{(2S,3R)-3-[(2E)-2-Penten-1-yl]-2-oxiranyl}-5,8,11-tridecatriensäure [German] [ACD/IUPAC Name]
5,8,11-Tridecatrienoic acid, 13-[(2S,3R)-3-[(2E)-2-penten-1-yl]oxiranyl]-, (5E,8E,11E)- [ACD/Index Name]
Acide (5E,8E,11E)-13-{(2S,3R)-3-[(2E)-2-pentén-1-yl]-2-oxiranyl}-5,8,11-tridécatriénoïque [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 464.6±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 79.6±6.0 kJ/mol
Flash Point: 156.7±18.9 °C
Index of Refraction: 1.513
Molar Refractivity: 96.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 5.62
ACD/LogD (pH 5.5): 4.15
ACD/BCF (pH 5.5): 537.50
ACD/KOC (pH 5.5): 1833.60
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 8.58
ACD/KOC (pH 7.4): 29.26
Polar Surface Area: 50 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 39.4±3.0 dyne/cm
Molar Volume: 319.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement