ChemSpider 2D Image | Methyl 7-{3-hydroxy-2-[(1E)-4-hydroxy-4-(1-propylcyclobutyl)-1-buten-1-yl]-5-oxocyclopentyl}heptanoate | C24H40O5

Methyl 7-{3-hydroxy-2-[(1E)-4-hydroxy-4-(1-propylcyclobutyl)-1-buten-1-yl]-5-oxocyclopentyl}heptanoate

  • Molecular FormulaC24H40O5
  • Average mass408.571 Da
  • Monoisotopic mass408.287567 Da
  • ChemSpider ID24995677

More details:

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

7-{3-Hydroxy-2-[(1E)-4-hydroxy-4-(1-propylcyclobutyl)-1-butén-1-yl]-5-oxocyclopentyl}heptanoate de méthyle [French] [ACD/IUPAC Name]
Cyclopentaneheptanoic acid, 3-hydroxy-2-[(1E)-4-hydroxy-4-(1-propylcyclobutyl)-1-buten-1-yl]-5-oxo-, methyl ester [ACD/Index Name]
Methyl 7-{3-hydroxy-2-[(1E)-4-hydroxy-4-(1-propylcyclobutyl)-1-buten-1-yl]-5-oxocyclopentyl}heptanoate [ACD/IUPAC Name]
Methyl-7-{3-hydroxy-2-[(1E)-4-hydroxy-4-(1-propylcyclobutyl)-1-buten-1-yl]-5-oxocyclopentyl}heptanoat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 525.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.9±6.0 kJ/mol
Flash Point: 168.4±23.6 °C
Index of Refraction: 1.539
Molar Refractivity: 115.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 3.56
ACD/BCF (pH 5.5): 299.70
ACD/KOC (pH 5.5): 2062.61
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 299.70
ACD/KOC (pH 7.4): 2062.61
Polar Surface Area: 84 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 369.7±3.0 cm3

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