ChemSpider 2D Image | (5Z,8Z)-10-{3-[(2Z)-(4,4,5,5,6,6,7,7,8,8,8-~2~H_11_)-2-Octen-1-yl]-2-oxiranyl}-5,8-decadienoic acid | C20H21D11O3

(5Z,8Z)-10-{3-[(2Z)-(4,4,5,5,6,6,7,7,8,8,8-2H11)-2-Octen-1-yl]-2-oxiranyl}-5,8-decadienoic acid

  • Molecular FormulaC20H21D11O3
  • Average mass331.534 Da
  • Monoisotopic mass331.304199 Da
  • ChemSpider ID21467533

  • 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

(5Z,8Z)-10-{3-[(2Z)-(4,4,5,5,6,6,7,7,8,8,8-2H11)-2-Octen-1-yl]-2-oxiranyl}-5,8-decadienoic acid [ACD/IUPAC Name]
(5Z,8Z)-10-{3-[(2Z)-(4,4,5,5,6,6,7,7,8,8,8-2H11)-2-Octen-1-yl]-2-oxiranyl}-5,8-decadiensäure [German] [ACD/IUPAC Name]
5,8-Decadienoic acid, 10-[3-[(2Z)-2-octen-1-yl-4,4,5,5,6,6,7,7,8,8,8-d11]oxiranyl]-, (5Z,8Z)- [ACD/Index Name]
Acide (5Z,8Z)-10-{3-[(2Z)-(4,4,5,5,6,6,7,7,8,8,8-2H11)-2-octén-1-yl]-2-oxiranyl}-5,8-décadiénoïque [French] [ACD/IUPAC Name]
(±)11(12)-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: 461.8±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 79.2±6.0 kJ/mol
Flash Point: 154.6±18.9 °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: 6.30
ACD/LogD (pH 5.5): 4.93
ACD/BCF (pH 5.5): 2091.77
ACD/KOC (pH 5.5): 4850.19
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 33.39
ACD/KOC (pH 7.4): 77.41
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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