Found 20 results

Search term: MF = 'C_{35}H_{54}O_{4}'
ChemSpider 2D Image | (3beta)-3-[(3-Methyl-2-buten-1-yl)oxy]-11-oxoolean-12-en-30-oic acid | C35H54O4

(3β)-3-[(3-Methyl-2-buten-1-yl)oxy]-11-oxoolean-12-en-30-oic acid

  • Molecular FormulaC35H54O4
  • Average mass538.801 Da
  • Monoisotopic mass538.402222 Da
  • ChemSpider ID34449165

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β)-3-[(3-Methyl-2-buten-1-yl)oxy]-11-oxoolean-12-en-30-oic acid [ACD/IUPAC Name]
(3β)-3-[(3-Methyl-2-buten-1-yl)oxy]-11-oxoolean-12-en-30-säure [German] [ACD/IUPAC Name]
Acide (3β)-3-[(3-méthyl-2-butén-1-yl)oxy]-11-oxooléan-12-én-30-oïque [French] [ACD/IUPAC Name]
Olean-12-en-30-oic acid, 3-[(3-methyl-2-buten-1-yl)oxy]-11-oxo-, (3β)- [ACD/Index Name]
3-(3-Methyl-but-2-enyloxy)-11-oxo-olean-12-ene-29-oic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 622.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 100.6±6.0 kJ/mol
Flash Point: 186.6±25.0 °C
Index of Refraction: 1.547
Molar Refractivity: 156.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 9.11
ACD/LogD (pH 5.5): 7.93
ACD/BCF (pH 5.5): 388725.91
ACD/KOC (pH 5.5): 199336.47
ACD/LogD (pH 7.4): 6.13
ACD/BCF (pH 7.4): 6163.07
ACD/KOC (pH 7.4): 3160.39
Polar Surface Area: 64 Å2
Polarizability: 62.1±0.5 10-24cm3
Surface Tension: 43.7±5.0 dyne/cm
Molar Volume: 494.0±5.0 cm3

Click to predict properties on the Chemicalize site


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