ChemSpider 2D Image | Methyl (2Z)-3-oxo-2-(2-propen-1-ylidene)lup-20(29)-en-28-oate | C34H50O3

Methyl (2Z)-3-oxo-2-(2-propen-1-ylidene)lup-20(29)-en-28-oate

  • Molecular FormulaC34H50O3
  • Average mass506.759 Da
  • Monoisotopic mass506.376007 Da
  • ChemSpider ID28522284

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2Z)-3-Oxo-2-(2-propén-1-ylidène)lup-20(29)-én-28-oate de méthyle [French] [ACD/IUPAC Name]
Lup-20(29)-en-28-oic acid, 3-oxo-2-(2-propen-1-ylidene)-, methyl ester, (2Z)- [ACD/Index Name]
Methyl (2Z)-3-oxo-2-(2-propen-1-ylidene)lup-20(29)-en-28-oate [ACD/IUPAC Name]
Methyl-(2Z)-3-oxo-2-(2-propen-1-yliden)lup-20(29)-en-28-oat [German] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 565.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.0±3.0 kJ/mol
Flash Point: 233.6±30.2 °C
Index of Refraction: 1.542
Molar Refractivity: 151.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 9.60
ACD/LogD (pH 5.5): 8.99
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1842603.50
ACD/LogD (pH 7.4): 8.99
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1842603.50
Polar Surface Area: 43 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 38.9±3.0 dyne/cm
Molar Volume: 482.5±3.0 cm3

Click to predict properties on the Chemicalize site


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