ChemSpider 2D Image | Methyl (2E)-2-(4-ethoxybenzylidene)-3-oxolup-20(29)-en-28-oate | C40H56O4

Methyl (2E)-2-(4-ethoxybenzylidene)-3-oxolup-20(29)-en-28-oate

  • Molecular FormulaC40H56O4
  • Average mass600.870 Da
  • Monoisotopic mass600.417847 Da
  • ChemSpider ID4689012
  • Double-bond stereo - Double-bond stereo


More details:






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

(2E)-2-(4-Éthoxybenzylidène)-3-oxolup-20(29)-én-28-oate de méthyle [French] [ACD/IUPAC Name]
Lup-20(29)-en-28-oic acid, 2-[(4-ethoxyphenyl)methylene]-3-oxo-, methyl ester, (2E)- [ACD/Index Name]
Methyl (2E)-2-(4-ethoxybenzylidene)-3-oxolup-20(29)-en-28-oate [ACD/IUPAC Name]
Methyl-(2E)-2-(4-ethoxybenzyliden)-3-oxolup-20(29)-en-28-oat [German] [ACD/IUPAC Name]
METHYL (10E)-10-[(4-ETHOXYPHENYL)METHYLIDENE]-5A,5B,8,8,11A-PENTAMETHYL-9-OXO-1-PROP-1-EN-2-YL-1,2,3,4,5,6,7,7A,11,11B,12,13,13A,13B-TETRADECAHYDROCYCLOPENTA[A]CHRYSENE-3A-CARBOXYLATE
methyl 16-[(4-ethoxyphenyl)methylene]-1,2,14,18,18-pentamethyl-8-(1-methylvinyl)-17-oxopentacyclo[11.8.0.0<2,10>.0<5,9>.0<14,19>]henicosane-5-carboxylate

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

BAS 01279941 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 659.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.0±3.0 kJ/mol
Flash Point: 267.5±31.5 °C
Index of Refraction: 1.548
Molar Refractivity: 178.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 11.66
ACD/LogD (pH 5.5): 10.66
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.66
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 53 Å2
Polarizability: 70.8±0.5 10-24cm3
Surface Tension: 39.4±3.0 dyne/cm
Molar Volume: 562.0±3.0 cm3

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