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Search term: 113369540 (Found by CSID)
ChemSpider 2D Image | 4-{(1S,5E)-4-Oxo-5-[(2E,5Z)-2,5-undecadien-1-ylidene]-2-cyclopenten-1-yl}butanoic acid | C20H28O3

4-{(1S,5E)-4-Oxo-5-[(2E,5Z)-2,5-undecadien-1-ylidene]-2-cyclopenten-1-yl}butanoic acid

  • Molecular FormulaC20H28O3
  • Average mass316.435 Da
  • Monoisotopic mass316.203857 Da
  • ChemSpider ID113369540

  • 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

2-Cyclopentene-1-butanoic acid, 4-oxo-5-[(2E,5Z)-2,5-undecadien-1-ylidene]-, (1S,5E)- [ACD/Index Name]
4-{(1S,5E)-4-Oxo-5-[(2E,5Z)-2,5-undecadien-1-yliden]-2-cyclopenten-1-yl}butansäure [German] [ACD/IUPAC Name]
4-{(1S,5E)-4-Oxo-5-[(2E,5Z)-2,5-undecadien-1-ylidene]-2-cyclopenten-1-yl}butanoic acid [ACD/IUPAC Name]
Acide 4-{(1S,5E)-4-oxo-5-[(2E,5Z)-2,5-undécadién-1-ylidène]-2-cyclopentén-1-yl}butanoïque [French] [ACD/IUPAC Name]
12-deoxy-J2-IsoP
8-oxo-6,9E,11E,14Z-prostatetraenoic acid-cyclo[5S,9]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 496.7±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 83.7±6.0 kJ/mol
Flash Point: 268.3±22.2 °C
Index of Refraction: 1.558
Molar Refractivity: 95.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.99
ACD/LogD (pH 5.5): 4.54
ACD/BCF (pH 5.5): 1048.24
ACD/KOC (pH 5.5): 2921.42
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 16.67
ACD/KOC (pH 7.4): 46.46
Polar Surface Area: 54 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 296.7±3.0 cm3

Click to predict properties on the Chemicalize site


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