ChemSpider 2D Image | 8-{(1S,5S)-4-Oxo-5-[(2Z)-2-penten-1-yl]-2-cyclopenten-1-yl}octanoate | C18H27O3

8-{(1S,5S)-4-Oxo-5-[(2Z)-2-penten-1-yl]-2-cyclopenten-1-yl}octanoate

  • Molecular FormulaC18H27O3
  • Average mass291.406 Da
  • Monoisotopic mass291.196564 Da
  • ChemSpider ID26330780

  • 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

2-Cyclopentene-1-octanoic acid, 4-oxo-5-[(2Z)-2-penten-1-yl]-, ion(1-), (1S,5S)- [ACD/Index Name]
8-{(1S,5S)-4-Oxo-5-[(2Z)-2-penten-1-yl]-2-cyclopenten-1-yl}octanoat [German] [ACD/IUPAC Name]
8-{(1S,5S)-4-Oxo-5-[(2Z)-2-penten-1-yl]-2-cyclopenten-1-yl}octanoate [ACD/IUPAC Name]
8-{(1S,5S)-4-Oxo-5-[(2Z)-2-pentén-1-yl]-2-cyclopentén-1-yl}octanoate [French] [ACD/IUPAC Name]
(10Z,15Z)-12-oxophytodienoate
(15Z)-12-Oxophyto-10,15-dienoate
(9S,13S,15Z)-12-oxophyto-10-15-dienoate
12-OPDA
12-oxo-cis-10,15-phytodienoic acid
12-Oxo-phytodienoic acid
More...

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

Density:
Boiling Point: 447.7±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 77.4±6.0 kJ/mol
Flash Point: 238.7±19.4 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 121.26
ACD/KOC (pH 5.5): 640.25
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 1.94
ACD/KOC (pH 7.4): 10.27
Polar Surface Area: 57 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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