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Search term: 113369283 (Found by CSID)
ChemSpider 2D Image | 8-{(1S,5S)-5-[(1E,3R)-3-Hydroxy-1-penten-1-yl]-4-oxo-2-cyclopenten-1-yl}octanoic acid | C18H28O4

8-{(1S,5S)-5-[(1E,3R)-3-Hydroxy-1-penten-1-yl]-4-oxo-2-cyclopenten-1-yl}octanoic acid

  • Molecular FormulaC18H28O4
  • Average mass308.413 Da
  • Monoisotopic mass308.198761 Da
  • ChemSpider ID113369283

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-Cyclopentene-1-octanoic acid, 5-[(1E,3R)-3-hydroxy-1-penten-1-yl]-4-oxo-, (1S,5S)- [ACD/Index Name]
8-{(1S,5S)-5-[(1E,3R)-3-Hydroxy-1-penten-1-yl]-4-oxo-2-cyclopenten-1-yl}octanoic acid [ACD/IUPAC Name]
8-{(1S,5S)-5-[(1E,3R)-3-Hydroxy-1-penten-1-yl]-4-oxo-2-cyclopenten-1-yl}octansäure [German] [ACD/IUPAC Name]
Acide 8-{(1S,5S)-5-[(1E,3R)-3-hydroxy-1-pentén-1-yl]-4-oxo-2-cyclopentén-1-yl}octanoïque [French] [ACD/IUPAC Name]
(16R)-16-J1-PhytoP[9R,13S]
8-((1S,5S)-5-((R,E)-3-hydroxypent-1-en-1-yl)-4-oxocyclopent-2-en-1-yl)octanoic acid
ent-16-J1-PhytoP

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

Density: 1.1±0.1 g/cm3
Boiling Point: 495.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.0±6.0 kJ/mol
Flash Point: 267.8±25.2 °C
Index of Refraction: 1.549
Molar Refractivity: 88.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.64
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 7.61
ACD/KOC (pH 5.5): 88.22
ACD/LogD (pH 7.4): -0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.41
Polar Surface Area: 75 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 276.5±3.0 cm3

Click to predict properties on the Chemicalize site


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