ChemSpider 2D Image | (2E,6E)-7-Ethyl-9-[(2R,3S)-3-ethyl-3-methyl-2-oxiranyl]-3-methyl-2,6-nonadienoate | C17H27O3

(2E,6E)-7-Ethyl-9-[(2R,3S)-3-ethyl-3-methyl-2-oxiranyl]-3-methyl-2,6-nonadienoate

  • Molecular FormulaC17H27O3
  • Average mass279.395 Da
  • Monoisotopic mass279.196564 Da
  • ChemSpider ID58163839

  • 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

(2E,6E)-7-Ethyl-9-[(2R,3S)-3-ethyl-3-methyl-2-oxiranyl]-3-methyl-2,6-nonadienoat [German] [ACD/IUPAC Name]
(2E,6E)-7-Ethyl-9-[(2R,3S)-3-ethyl-3-methyl-2-oxiranyl]-3-methyl-2,6-nonadienoate [ACD/IUPAC Name]
(2E,6E)-7-Éthyl-9-[(2R,3S)-3-éthyl-3-méthyl-2-oxiranyl]-3-méthyl-2,6-nonadiénoate [French] [ACD/IUPAC Name]
2,6-Nonadienoic acid, 7-ethyl-9-[(2R,3S)-3-ethyl-3-methyloxiranyl]-3-methyl-, ion(1-), (2E,6E)- [ACD/Index Name]
(2E,6E)-7-ethyl-9-[(2R,3S)-3-ethyl-3-methyloxiran-2-yl]-3-methylnona-2,6-dienoate
juvenile hormone I acid anion
juvenile hormone I carboxylate
  • Miscellaneous

    • Chemical Class:

      A polyunsaturated fatty acid anion that is the conjugate base of juvenile hormone I carboxylic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:87109

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

Density:
Boiling Point: 415.5±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 73.3±6.0 kJ/mol
Flash Point: 143.0±17.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 262.70
ACD/KOC (pH 5.5): 1330.44
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 4.84
ACD/KOC (pH 7.4): 24.51
Polar Surface Area: 53 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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