ChemSpider 2D Image | (9Z,11S)-11-Hydroxy-11-[(2S,3S)-3-pentyl-2-oxiranyl]-9-undecenoate | C18H31O4


  • Molecular FormulaC18H31O4
  • Average mass311.437 Da
  • Monoisotopic mass311.222778 Da
  • ChemSpider ID58170240
  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(9Z,11S)-11-Hydroxy-11-[(2S,3S)-3-pentyl-2-oxiranyl]-9-undecenoat [German] [ACD/IUPAC Name]
(9Z,11S)-11-Hydroxy-11-[(2S,3S)-3-pentyl-2-oxiranyl]-9-undecenoate [ACD/IUPAC Name]
(9Z,11S)-11-Hydroxy-11-[(2S,3S)-3-pentyl-2-oxiranyl]-9-undécénoate [French] [ACD/IUPAC Name]
9-Undecenoic acid, 11-hydroxy-11-[(2S,3S)-3-pentyloxiranyl]-, ion(1-), (9Z,11S)- [ACD/Index Name]
  • Miscellaneous
    • Chemical Class:

      A monounsaturated fatty acid anion that is the conjugate base of 11-hydroxy-(12S,13S)-epoxy-(9Z)-octadecenoic acid, obtained by deprotonation of the ; carboxy group; major species at pH 7.3. ChEBI CHEBI:132064

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Boiling Point: 437.5±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 80.1±6.0 kJ/mol
Flash Point: 147.1±15.3 °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: 5.25
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 439.70
ACD/KOC (pH 5.5): 1609.23
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 7.05
ACD/KOC (pH 7.4): 25.80
Polar Surface Area: 73 Å2
Surface Tension:
Molar Volume:

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