ChemSpider 2D Image | 3-Hydroxylup-20(29)-en-28-yl (2E)-3-(4-methoxyphenyl)acrylate | C40H58O4

3-Hydroxylup-20(29)-en-28-yl (2E)-3-(4-methoxyphenyl)acrylate

  • Molecular FormulaC40H58O4
  • Average mass602.886 Da
  • Monoisotopic mass602.433533 Da
  • ChemSpider ID4689008

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(4-Méthoxyphényl)acrylate de 3-hydroxylup-20(29)-én-28-yle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-(4-methoxyphenyl)-, 3-hydroxylup-20(29)-en-28-yl ester, (2E)- [ACD/Index Name]
3-Hydroxylup-20(29)-en-28-yl (2E)-3-(4-methoxyphenyl)acrylate [ACD/IUPAC Name]
3-Hydroxylup-20(29)-en-28-yl-(2E)-3-(4-methoxyphenyl)acrylat [German] [ACD/IUPAC Name]
(9-HYDROXY-5A,5B,8,8,11A-PENTAMETHYL-1-PROP-1-EN-2-YL-1,2,3,4,5,6,7,7A,9,10,11,11B,12,13,13A,13B-HEXADECAHYDROCYCLOPENTA[A]CHRYSEN-3A-YL)METHYL (E)-3-(4-METHOXYPHENYL)PROP-2-ENOATE
[17-hydroxy-1,2,14,18,18-pentamethyl-8-(1-methylvinyl)pentacyclo[11.8.0.0<2,10>.0<5,9>.0<14,19>]henicos-5-yl]methyl (2E)-3-(4-methoxyphenyl)prop-2-enoate

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

BAS 01279922 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 667.3±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.1±3.0 kJ/mol
Flash Point: 195.4±18.1 °C
Index of Refraction: 1.549
Molar Refractivity: 180.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 11.85
ACD/LogD (pH 5.5): 9.72
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4635806.50
ACD/LogD (pH 7.4): 9.72
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4635806.50
Polar Surface Area: 56 Å2
Polarizability: 71.5±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 567.0±3.0 cm3

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