ChemSpider 2D Image | (3beta)-3-[(Cyclobutylcarbonyl)oxy]olean-18-en-28-oic acid | C35H54O4

(3β)-3-[(Cyclobutylcarbonyl)oxy]olean-18-en-28-oic acid

  • Molecular FormulaC35H54O4
  • Average mass538.801 Da
  • Monoisotopic mass538.402222 Da
  • ChemSpider ID24663806

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β)-3-[(Cyclobutylcarbonyl)oxy]olean-18-en-28-oic acid [ACD/IUPAC Name]
(3β)-3-[(Cyclobutylcarbonyl)oxy]olean-18-en-28-säure [German] [ACD/IUPAC Name]
Acide (3β)-3-[(cyclobutylcarbonyl)oxy]oléan-18-én-28-oïque [French] [ACD/IUPAC Name]
Olean-18-en-28-oic acid, 3-[(cyclobutylcarbonyl)oxy]-, (3β)- [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: 601.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 97.8±6.0 kJ/mol
Flash Point: 179.7±25.0 °C
Index of Refraction: 1.555
Molar Refractivity: 155.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 10.93
ACD/LogD (pH 5.5): 9.38
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1087426.38
ACD/LogD (pH 7.4): 7.58
ACD/BCF (pH 7.4): 72993.89
ACD/KOC (pH 7.4): 17086.28
Polar Surface Area: 64 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 45.6±5.0 dyne/cm
Molar Volume: 482.6±5.0 cm3

Click to predict properties on the Chemicalize site


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