ChemSpider 2D Image | 5-[(2E,6E)-8-(2,6-Dichlorophenoxy)-6-methyl-2,6-octadien-2-yl]-2,2-dimethyl-3(2H)-furanone | C21H24Cl2O3

5-[(2E,6E)-8-(2,6-Dichlorophenoxy)-6-methyl-2,6-octadien-2-yl]-2,2-dimethyl-3(2H)-furanone

  • Molecular FormulaC21H24Cl2O3
  • Average mass395.319 Da
  • Monoisotopic mass394.110260 Da
  • ChemSpider ID23149520

  • Double-bond stereo - Double-bond stereo

More details:

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

3(2H)-Furanone, 5-[(1E,5E)-7-(2,6-dichlorophenoxy)-1,5-dimethyl-1,5-heptadien-1-yl]-2,2-dimethyl- [ACD/Index Name]
5-[(2E,6E)-8-(2,6-Dichlorophenoxy)-6-methyl-2,6-octadien-2-yl]-2,2-dimethyl-3(2H)-furanone [ACD/IUPAC Name]
5-[(2E,6E)-8-(2,6-Dichlorophénoxy)-6-méthyl-2,6-octadién-2-yl]-2,2-diméthyl-3(2H)-furanone [French] [ACD/IUPAC Name]
5-[(2E,6E)-8-(2,6-Dichlorphenoxy)-6-methyl-2,6-octadien-2-yl]-2,2-dimethyl-3(2H)-furanon [German] [ACD/IUPAC Name]
5-[7-(2,6-Dichloro-phenoxy)-1,5-dimethyl-hepta-1,5-dienyl]-2,2-dimethyl-furan-3-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL413542/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 526.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.1±3.0 kJ/mol
Flash Point: 183.0±29.1 °C
Index of Refraction: 1.549
Molar Refractivity: 106.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.29
ACD/LogD (pH 5.5): 5.82
ACD/BCF (pH 5.5): 15504.11
ACD/KOC (pH 5.5): 34762.35
ACD/LogD (pH 7.4): 5.82
ACD/BCF (pH 7.4): 15504.11
ACD/KOC (pH 7.4): 34762.35
Polar Surface Area: 36 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 334.8±3.0 cm3

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