ChemSpider 2D Image | Methyl (4E)-7-{2-[(1E,5E)-6-(1-cyclopenten-1-yl)-4-hydroxy-4-methyl-1,5-hexadien-1-yl]-3-hydroxy-5-oxocyclopentyl}-4-heptenoate | C25H36O5

Methyl (4E)-7-{2-[(1E,5E)-6-(1-cyclopenten-1-yl)-4-hydroxy-4-methyl-1,5-hexadien-1-yl]-3-hydroxy-5-oxocyclopentyl}-4-heptenoate

  • Molecular FormulaC25H36O5
  • Average mass416.550 Da
  • Monoisotopic mass416.256287 Da
  • ChemSpider ID24995679

More details:

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

(4E)-7-{2-[(1E,5E)-6-(1-Cyclopentén-1-yl)-4-hydroxy-4-méthyl-1,5-hexadién-1-yl]-3-hydroxy-5-oxocyclopentyl}-4-hepténoate de méthyle [French] [ACD/IUPAC Name]
4-Heptenoic acid, 7-[2-[(1E,5E)-6-(1-cyclopenten-1-yl)-4-hydroxy-4-methyl-1,5-hexadien-1-yl]-3-hydroxy-5-oxocyclopentyl]-, methyl ester, (4E)- [ACD/Index Name]
Methyl (4E)-7-{2-[(1E,5E)-6-(1-cyclopenten-1-yl)-4-hydroxy-4-methyl-1,5-hexadien-1-yl]-3-hydroxy-5-oxocyclopentyl}-4-heptenoate [ACD/IUPAC Name]
Methyl-(4E)-7-{2-[(1E,5E)-6-(1-cyclopenten-1-yl)-4-hydroxy-4-methyl-1,5-hexadien-1-yl]-3-hydroxy-5-oxocyclopentyl}-4-heptenoat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 552.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.7±6.0 kJ/mol
Flash Point: 179.2±23.6 °C
Index of Refraction: 1.607
Molar Refractivity: 122.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 3.06
ACD/BCF (pH 5.5): 125.25
ACD/KOC (pH 5.5): 1104.57
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 125.25
ACD/KOC (pH 7.4): 1104.57
Polar Surface Area: 84 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 57.9±3.0 dyne/cm
Molar Volume: 353.2±3.0 cm3

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