ChemSpider 2D Image | {(1R,2R)-2-[(2Z)-5-Hydroxy-2-penten-1-yl]-3-oxocyclopentyl}acetate | C12H17O4

{(1R,2R)-2-[(2Z)-5-Hydroxy-2-penten-1-yl]-3-oxocyclopentyl}acetate

  • Molecular FormulaC12H17O4
  • Average mass225.262 Da
  • Monoisotopic mass225.113235 Da
  • ChemSpider ID58170227

  • 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

{(1R,2R)-2-[(2Z)-5-Hydroxy-2-penten-1-yl]-3-oxocyclopentyl}acetat [German] [ACD/IUPAC Name]
{(1R,2R)-2-[(2Z)-5-Hydroxy-2-penten-1-yl]-3-oxocyclopentyl}acetate [ACD/IUPAC Name]
{(1R,2R)-2-[(2Z)-5-Hydroxy-2-pentén-1-yl]-3-oxocyclopentyl}acétate [French] [ACD/IUPAC Name]
Cyclopentaneacetic acid, 2-[(2Z)-5-hydroxy-2-penten-1-yl]-3-oxo-, ion(1-), (1R,2R)- [ACD/Index Name]
(1R,2R)-12-hydroxyjasmonate
{(1R,2R)-2-[(2Z)-5-hydroxypent-2-en-1-yl]-3-oxocyclopentyl}acetate
E-12-hydroxyjasmonate
trans-12-hydroxy-JA
trans-12-hydroxyjasmonate
trans-12-hydroxyjasmonic acid
More...
  • Miscellaneous

    • Chemical Class:

      A 5-oxo monocarboxylic acid anion that is the conjugate base of 12-hydroxyjasmonic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:132022

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

Density:
Boiling Point: 429.5±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 79.1±6.0 kJ/mol
Flash Point: 227.7±18.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.15
ACD/LogD (pH 5.5): -0.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.67
ACD/LogD (pH 7.4): -2.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 77 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement