ChemSpider 2D Image | (5Z,8Z)-10-{(2R,3S)-3-[(2Z)-2-Octen-1-yl]-2-oxiranyl}-5,8-decadienoate | C20H31O3

(5Z,8Z)-10-{(2R,3S)-3-[(2Z)-2-Octen-1-yl]-2-oxiranyl}-5,8-decadienoate

  • Molecular FormulaC20H31O3
  • Average mass319.459 Da
  • Monoisotopic mass319.227875 Da
  • ChemSpider ID58170210

  • Charge - Charge

    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,8Z)-10-{(2R,3S)-3-[(2Z)-2-Octen-1-yl]-2-oxiranyl}-5,8-decadienoat [German] [ACD/IUPAC Name]
(5Z,8Z)-10-{(2R,3S)-3-[(2Z)-2-Octen-1-yl]-2-oxiranyl}-5,8-decadienoate [ACD/IUPAC Name]
(5Z,8Z)-10-{(2R,3S)-3-[(2Z)-2-Octén-1-yl]-2-oxiranyl}-5,8-décadiénoate [French] [ACD/IUPAC Name]
5,8-Decadienoic acid, 10-[(2R,3S)-3-[(2Z)-2-octen-1-yl]oxiranyl]-, ion(1-), (5Z,8Z)- [ACD/Index Name]
(11R,12S)-EET(1-)
(11R,12S)-EpETrE(1-)
(11R,12S)-epoxy-(5Z,8Z,14Z)-eicosatrienoate
(11R,12S)-epoxy-(5Z,8Z,14Z)-icosatrienoate
(5Z,8Z)-10-{(2R,3S)-3-[(2Z)-oct-2-en-1-yl]oxiran-2-yl}deca-5,8-dienoate
11(R),12(S)-EET(1-)
  • Miscellaneous

    • Chemical Class:

      An 11,12-EET(1-) that is the conjugate base of (11R,12S)-EET, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:131970

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

Density:
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:
Molar Refractivity:
#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: 53 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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