ChemSpider 2D Image | 8-{2-[(1E,3R)-3-Hydroxy-1-penten-1-yl]-5-oxo-1-cyclopenten-1-yl}octanoic acid | C18H28O4

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

  • Molecular FormulaC18H28O4
  • Average mass308.413 Da
  • Monoisotopic mass308.198761 Da
  • ChemSpider ID113369221

  • 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

1-Cyclopentene-1-octanoic acid, 2-[(1E,3R)-3-hydroxy-1-penten-1-yl]-5-oxo- [ACD/Index Name]
8-{2-[(1E,3R)-3-Hydroxy-1-penten-1-yl]-5-oxo-1-cyclopenten-1-yl}octanoic acid [ACD/IUPAC Name]
8-{2-[(1E,3R)-3-Hydroxy-1-penten-1-yl]-5-oxo-1-cyclopenten-1-yl}octansäure [German] [ACD/IUPAC Name]
Acide 8-{2-[(1E,3R)-3-hydroxy-1-pentén-1-yl]-5-oxo-1-cyclopentén-1-yl}octanoïque [French] [ACD/IUPAC Name]
(16R)-16-B1-PhytoP
8-(2-(3R-hydroxypent-1E-en-1-yl)-5-oxocyclopent-1-en-1-yl)octanoic acid
ent-16-B1-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: 511.6±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.1±6.0 kJ/mol
Flash Point: 277.3±24.7 °C
Index of Refraction: 1.559
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: 2.50
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 16.25
ACD/KOC (pH 5.5): 151.70
ACD/LogD (pH 7.4): 0.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.43
Polar Surface Area: 75 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 52.0±3.0 dyne/cm
Molar Volume: 272.5±3.0 cm3

Click to predict properties on the Chemicalize site


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