ChemSpider 2D Image | Methyl (2E,5E)-6-(4-chloro-3-methoxyphenyl)-4-methoxy-2-(methoxymethylene)-3-methyl-5-hexenoate | C18H23ClO5

Methyl (2E,5E)-6-(4-chloro-3-methoxyphenyl)-4-methoxy-2-(methoxymethylene)-3-methyl-5-hexenoate

  • Molecular FormulaC18H23ClO5
  • Average mass354.825 Da
  • Monoisotopic mass354.123413 Da
  • ChemSpider ID64884261

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,5E)-6-(4-Chloro-3-méthoxyphényl)-4-méthoxy-2-(méthoxyméthylène)-3-méthyl-5-hexénoate de méthyle [French] [ACD/IUPAC Name]
5-Hexenoic acid, 6-(4-chloro-3-methoxyphenyl)-4-methoxy-2-(methoxymethylene)-3-methyl-, methyl ester, (2E,5E)- [ACD/Index Name]
Methyl (2E,5E)-6-(4-chloro-3-methoxyphenyl)-4-methoxy-2-(methoxymethylene)-3-methyl-5-hexenoate [ACD/IUPAC Name]
Methyl-(2E,5E)-6-(4-chlor-3-methoxyphenyl)-4-methoxy-2-(methoxymethylen)-3-methyl-5-hexenoat [German] [ACD/IUPAC 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: 469.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.2±3.0 kJ/mol
Flash Point: 166.3±27.7 °C
Index of Refraction: 1.533
Molar Refractivity: 95.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 233.93
ACD/KOC (pH 5.5): 1727.45
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 233.93
ACD/KOC (pH 7.4): 1727.45
Polar Surface Area: 54 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 37.3±3.0 dyne/cm
Molar Volume: 308.8±3.0 cm3

Click to predict properties on the Chemicalize site


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