ChemSpider 2D Image | 4-{3-[(2Z,5Z,8Z)-(10,10,11,11,12,12,13,13,14,14,14-~2~H_11_)-2,5,8-Tetradecatrien-1-yl]-2-oxiranyl}butanoic acid | C20H21D11O3

4-{3-[(2Z,5Z,8Z)-(10,10,11,11,12,12,13,13,14,14,14-2H11)-2,5,8-Tetradecatrien-1-yl]-2-oxiranyl}butanoic acid

  • Molecular FormulaC20H21D11O3
  • Average mass331.534 Da
  • Monoisotopic mass331.304199 Da
  • ChemSpider ID21467741

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

2-Oxiranebutanoic acid, 3-[(2Z,5Z,8Z)-2,5,8-tetradecatrien-1-yl-10,10,11,11,12,12,13,13,14,14,14-d11]- [ACD/Index Name]
4-{3-[(2Z,5Z,8Z)-(10,10,11,11,12,12,13,13,14,14,14-2H11)-2,5,8-Tetradecatrien-1-yl]-2-oxiranyl}butanoic acid [ACD/IUPAC Name]
4-{3-[(2Z,5Z,8Z)-(10,10,11,11,12,12,13,13,14,14,14-2H11)-2,5,8-Tetradecatrien-1-yl]-2-oxiranyl}butansäure [German] [ACD/IUPAC Name]
Acide 4-{3-[(2Z,5Z,8Z)-(10,10,11,11,12,12,13,13,14,14,14-2H11)-2,5,8-tétradécatrién-1-yl]-2-oxiranyl}butanoïque [French] [ACD/IUPAC Name]
(±)5(6)-EET-d11

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

Density: 1.0±0.1 g/cm3
Boiling Point: 456.7±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 78.5±6.0 kJ/mol
Flash Point: 152.4±16.7 °C
Index of Refraction: 1.501
Molar Refractivity: 96.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 6.36
ACD/LogD (pH 5.5): 4.99
ACD/BCF (pH 5.5): 2349.81
ACD/KOC (pH 5.5): 5305.60
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 37.59
ACD/KOC (pH 7.4): 84.86
Polar Surface Area: 50 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 38.8±3.0 dyne/cm
Molar Volume: 326.0±3.0 cm3

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