ChemSpider 2D Image | (9R,10E,12Z,15Z)-9-Hydroperoxy-10,12,15-octadecatrienoate | C18H29O4

(9R,10E,12Z,15Z)-9-Hydroperoxy-10,12,15-octadecatrienoate

  • Molecular FormulaC18H29O4
  • Average mass309.421 Da
  • Monoisotopic mass309.207123 Da
  • ChemSpider ID26333047

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(9R,10E,12Z,15Z)-9-Hydroperoxy-10,12,15-octadecatrienoat [German] [ACD/IUPAC Name]
(9R,10E,12Z,15Z)-9-Hydroperoxy-10,12,15-octadecatrienoate [ACD/IUPAC Name]
(9R,10E,12Z,15Z)-9-Hydroperoxy-10,12,15-octadécatriénoate [French] [ACD/IUPAC Name]
10,12,15-Octadecatrienoic acid, 9-hydroperoxy-, ion(1-), (9R,10E,12Z,15Z)- [ACD/Index Name]
(10E,12Z,15Z)-(9R)-9-hydroperoxyoctadeca-10,12,15-trienoate
(9R,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoate
(9R,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid anion
9(R)-HPOT(1-)
9(R)-HpOTrE(1-)
  • Miscellaneous

    • Chemical Class:

      A (10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoate that has R configuration at the chiral centre. ChEBI CHEBI:63241

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

Density:
Boiling Point: 466.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.9±6.0 kJ/mol
Flash Point: 158.9±22.2 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 5.62
ACD/LogD (pH 5.5): 4.25
ACD/BCF (pH 5.5): 647.63
ACD/KOC (pH 5.5): 2122.85
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 10.38
ACD/KOC (pH 7.4): 34.03
Polar Surface Area: 70 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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