ChemSpider 2D Image | (9Z,11Z)-11-[(3S)-3-Pentyl-2-oxiranylidene]-9-undecenoate | C18H29O3

(9Z,11Z)-11-[(3S)-3-Pentyl-2-oxiranylidene]-9-undecenoate

  • Molecular FormulaC18H29O3
  • Average mass293.422 Da
  • Monoisotopic mass293.212219 Da
  • ChemSpider ID26333180

  • 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

(9Z,11Z)-11-[(3S)-3-Pentyl-2-oxiranyliden]-9-undecenoat [German] [ACD/IUPAC Name]
(9Z,11Z)-11-[(3S)-3-Pentyl-2-oxiranylidene]-9-undecenoate [ACD/IUPAC Name]
(9Z,11Z)-11-[(3S)-3-Pentyl-2-oxiranylidène]-9-undécénoate [French] [ACD/IUPAC Name]
9-Undecenoic acid, 11-[(3S)-3-pentyl-2-oxiranylidene]-, ion(1-), (9Z,11Z)- [ACD/Index Name]
(9Z)-11-[(3S)-3-pentyloxiran-2-ylidene]undec-9-enoate
(9Z, 13S)-12,13-epoxyoctadeca-9,11-dienoate
(9Z,13S)-12,13-epoxyoctadeca-9,11-dienoate
(9Z,13S)-12,13-epoxyoctadeca-9,11-dienoate anion
(9Z,13S)-12,13-epoxyoctadeca-9,11-dienoate(1-)
13(S)-EOD
  • Miscellaneous

    • Chemical Class:

      A long-chain unsaturated fatty acid anion that is the conjugate base of (9Z,13S)-12,13-epoxyoctadeca-9,11-dienoic acid arising from deprotonation of the carboxylic ac; id function. ChEBI CHEBI:57465
      A long-chain unsaturated fatty acid anion that is the conjugate base of (9Z,13S)-12,13-epoxyoctadeca-9,11-dienoic acid arising from deprotonation of the carboxylic acid function. ChEBI CHEBI:57465

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

Density:
Boiling Point: 414.3±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 73.2±6.0 kJ/mol
Flash Point: 139.2±16.4 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 5.19
ACD/LogD (pH 5.5): 4.39
ACD/BCF (pH 5.5): 819.97
ACD/KOC (pH 5.5): 2513.39
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 13.15
ACD/KOC (pH 7.4): 40.29
Polar Surface Area: 53 Å2
Polarizability:
Surface Tension:
Molar Volume:

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