Found 25 results

Search term: MF = 'C_{36}H_{56}O_{5}'
ChemSpider 2D Image | 6-Oxo-6-[(3-oxoolean-12-en-28-yl)oxy]hexanoic acid | C36H56O5

6-Oxo-6-[(3-oxoolean-12-en-28-yl)oxy]hexanoic acid

  • Molecular FormulaC36H56O5
  • Average mass568.827 Da
  • Monoisotopic mass568.412781 Da
  • ChemSpider ID26376690

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

6-Oxo-6-[(3-oxoolean-12-en-28-yl)oxy]hexanoic acid [ACD/IUPAC Name]
6-Oxo-6-[(3-oxoolean-12-en-28-yl)oxy]hexansäure [German] [ACD/IUPAC Name]
Acide 6-oxo-6-[(3-oxooléan-12-én-28-yl)oxy]hexanoïque [French] [ACD/IUPAC Name]
Hexanedioic 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: 643.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 103.6±6.0 kJ/mol
Flash Point: 191.6±25.0 °C
Index of Refraction: 1.544
Molar Refractivity: 161.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 9.76
ACD/LogD (pH 5.5): 8.40
ACD/BCF (pH 5.5): 877775.00
ACD/KOC (pH 5.5): 352153.84
ACD/LogD (pH 7.4): 6.60
ACD/BCF (pH 7.4): 13874.92
ACD/KOC (pH 7.4): 5566.47
Polar Surface Area: 81 Å2
Polarizability: 64.2±0.5 10-24cm3
Surface Tension: 45.6±5.0 dyne/cm
Molar Volume: 513.0±5.0 cm3

Click to predict properties on the Chemicalize site


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