ChemSpider 2D Image | 5-Oxo-5-[(3-oxoolean-12-en-28-yl)oxy]pentanoic acid | C35H54O5

5-Oxo-5-[(3-oxoolean-12-en-28-yl)oxy]pentanoic acid

  • Molecular FormulaC35H54O5
  • Average mass554.800 Da
  • Monoisotopic mass554.397095 Da
  • ChemSpider ID26376970

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

5-Oxo-5-[(3-oxoolean-12-en-28-yl)oxy]pentanoic acid [ACD/IUPAC Name]
5-Oxo-5-[(3-oxoolean-12-en-28-yl)oxy]pentansäure [German] [ACD/IUPAC Name]
Acide 5-oxo-5-[(3-oxooléan-12-én-28-yl)oxy]pentanoïque [French] [ACD/IUPAC Name]
Pentanedioic acid, mono(3-oxoolean-12-en-28-yl) ester [ACD/Index 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: 637.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 102.8±6.0 kJ/mol
Flash Point: 191.6±25.0 °C
Index of Refraction: 1.545
Molar Refractivity: 157.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 9.46
ACD/LogD (pH 5.5): 8.06
ACD/BCF (pH 5.5): 467831.28
ACD/KOC (pH 5.5): 215589.08
ACD/LogD (pH 7.4): 6.26
ACD/BCF (pH 7.4): 7356.49
ACD/KOC (pH 7.4): 3390.07
Polar Surface Area: 81 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 45.9±5.0 dyne/cm
Molar Volume: 496.9±5.0 cm3

Click to predict properties on the Chemicalize site


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