Found 25 results

Search term: MF = 'C_{36}H_{56}O_{5}'
ChemSpider 2D Image | 2,2-Dimethyl-4-oxo-4-{[(3beta)-28-oxolup-20(29)-en-3-yl]oxy}butanoic acid | C36H56O5

2,2-Dimethyl-4-oxo-4-{[(3β)-28-oxolup-20(29)-en-3-yl]oxy}butanoic acid

  • Molecular FormulaC36H56O5
  • Average mass568.827 Da
  • Monoisotopic mass568.412781 Da
  • ChemSpider ID9895826

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2,2-Dimethyl-4-oxo-4-{[(3β)-28-oxolup-20(29)-en-3-yl]oxy}butanoic acid [ACD/IUPAC Name]
2,2-Dimethyl-4-oxo-4-{[(3β)-28-oxolup-20(29)-en-3-yl]oxy}butansäure [German] [ACD/IUPAC Name]
Acide 2,2-diméthyl-4-oxo-4-{[(3β)-28-oxolup-20(29)-én-3-yl]oxy}butanoïque [French] [ACD/IUPAC Name]
Butanedioic acid, 2,2-dimethyl-, 4-[(3β)-28-oxolup-20(29)-en-3-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: 629.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 101.6±6.0 kJ/mol
Flash Point: 186.1±20.8 °C
Index of Refraction: 1.539
Molar Refractivity: 161.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 10.28
ACD/LogD (pH 5.5): 8.44
ACD/BCF (pH 5.5): 850264.38
ACD/KOC (pH 5.5): 306279.78
ACD/LogD (pH 7.4): 6.64
ACD/BCF (pH 7.4): 13414.48
ACD/KOC (pH 7.4): 4832.13
Polar Surface Area: 81 Å2
Polarizability: 64.2±0.5 10-24cm3
Surface Tension: 44.1±5.0 dyne/cm
Molar Volume: 516.9±5.0 cm3

Click to predict properties on the Chemicalize site


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