ChemSpider 2D Image | 7-[(1R,2R,5R)-2-Hexyl-5-hydroxycyclopentyl]heptanoic acid | C18H34O3

7-[(1R,2R,5R)-2-Hexyl-5-hydroxycyclopentyl]heptanoic acid

  • Molecular FormulaC18H34O3
  • Average mass298.461 Da
  • Monoisotopic mass298.250793 Da
  • ChemSpider ID32797984
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

7-[(1R,2R,5R)-2-Hexyl-5-hydroxycyclopentyl]heptanoic acid [ACD/IUPAC Name]
7-[(1R,2R,5R)-2-Hexyl-5-hydroxycyclopentyl]heptansäure [German] [ACD/IUPAC Name]
Acide 7-[(1R,2R,5R)-2-hexyl-5-hydroxycyclopentyl]heptanoïque [French] [ACD/IUPAC Name]
Cyclopentaneheptanoic acid, 2-hexyl-5-hydroxy-, (1R,2R,5R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 442.1±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 80.7±6.0 kJ/mol
Flash Point: 235.3±17.7 °C
Index of Refraction: 1.481
Molar Refractivity: 86.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 5.50
ACD/LogD (pH 5.5): 4.50
ACD/BCF (pH 5.5): 1000.08
ACD/KOC (pH 5.5): 2899.67
ACD/LogD (pH 7.4): 2.71
ACD/BCF (pH 7.4): 16.04
ACD/KOC (pH 7.4): 46.50
Polar Surface Area: 58 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 38.0±3.0 dyne/cm
Molar Volume: 304.0±3.0 cm3

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