ChemSpider 2D Image | (2E,6E)-9-[(2R)-3,3-Dimethyl-2-oxiranyl]-3,7-dimethyl-2,6-nonadienoate | C15H23O3

(2E,6E)-9-[(2R)-3,3-Dimethyl-2-oxiranyl]-3,7-dimethyl-2,6-nonadienoate

  • Molecular FormulaC15H23O3
  • Average mass251.342 Da
  • Monoisotopic mass251.165268 Da
  • ChemSpider ID34448732

  • 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

(2E,6E)-9-[(2R)-3,3-Dimethyl-2-oxiranyl]-3,7-dimethyl-2,6-nonadienoat [German] [ACD/IUPAC Name]
(2E,6E)-9-[(2R)-3,3-Dimethyl-2-oxiranyl]-3,7-dimethyl-2,6-nonadienoate [ACD/IUPAC Name]
(2E,6E)-9-[(2R)-3,3-Diméthyl-2-oxiranyl]-3,7-diméthyl-2,6-nonadiénoate [French] [ACD/IUPAC Name]
2,6-Nonadienoic acid, 9-[(2R)-3,3-dimethyloxiranyl]-3,7-dimethyl-, ion(1-), (2E,6E)- [ACD/Index Name]
(2E,6E,10R)-10,11-epoxy-3,7,11-trimethyl-2,6-dodecadienoate
(2E,6E)-9-[(2R)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoate
juvenile hormone III acid
juvenile hormone III carboxylate
  • Miscellaneous

    • Chemical Class:

      A polyunsaturated fatty acid anion obtained by deprotonation of the carboxy group of juvenile hormone III acid; major species at pH 7.3. ChEBI CHEBI:83274

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

Density:
Boiling Point: 388.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 70.0±6.0 kJ/mol
Flash Point: 137.7±16.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 72.18
ACD/KOC (pH 5.5): 527.69
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 1.33
ACD/KOC (pH 7.4): 9.72
Polar Surface Area: 53 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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