ChemSpider 2D Image | capsiconiate | C20H28O4

capsiconiate

  • Molecular FormulaC20H28O4
  • Average mass332.434 Da
  • Monoisotopic mass332.198761 Da
  • ChemSpider ID24785225

  • Double-bond stereo - Double-bond stereo

More details:

Featured data source
Natural Product Updates

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

(2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propen-1-yl (6E)-8-methyl-6-nonenoate [ACD/IUPAC Name]
(2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propen-1-yl-(6E)-8-methyl-6-nonenoat [German] [ACD/IUPAC Name]
(6E)-8-Méthyl-6-nonénoate de (2E)-3-(4-hydroxy-3-méthoxyphényl)-2-propén-1-yle [French] [ACD/IUPAC Name]
6-Nonenoic acid, 8-methyl-, (2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propen-1-yl ester, (6E)- [ACD/Index Name]
946572-73-2 [RN]
capsiconiate
(2E)-3-(4-HYDROXY-3-METHOXYPHENYL)PROP-2-EN-1-YL (6E)-8-METHYLNON-6-ENOATE
8-methyl-6E-nonenoic acid 3-(4-hydroxy-3-methoxyphenyl)-2E-propen-1-yl ester

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

Density: 1.1±0.1 g/cm3
Boiling Point: 472.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.3±3.0 kJ/mol
Flash Point: 159.6±22.2 °C
Index of Refraction: 1.539
Molar Refractivity: 98.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.46
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 157.03
ACD/KOC (pH 5.5): 1298.63
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 156.61
ACD/KOC (pH 7.4): 1295.14
Polar Surface Area: 56 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 39.2±3.0 dyne/cm
Molar Volume: 315.4±3.0 cm3

Click to predict properties on the Chemicalize site


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