ChemSpider 2D Image | 5-Chloro-3-[(1Z,3E)-3,5-dimethyl-1,3-heptadien-1-yl]-7-methyl-6,8-dioxo-7,8-dihydro-6H-isochromen-7-yl acetate | C21H23ClO5

5-Chloro-3-[(1Z,3E)-3,5-dimethyl-1,3-heptadien-1-yl]-7-methyl-6,8-dioxo-7,8-dihydro-6H-isochromen-7-yl acetate

  • Molecular FormulaC21H23ClO5
  • Average mass390.857 Da
  • Monoisotopic mass390.123413 Da
  • ChemSpider ID123246777

  • Double-bond stereo - Double-bond stereo

More details:

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

5-Chlor-3-[(1Z,3E)-3,5-dimethyl-1,3-heptadien-1-yl]-7-methyl-6,8-dioxo-7,8-dihydro-6H-isochromen-7-yl-acetat [German] [ACD/IUPAC Name]
5-Chloro-3-[(1Z,3E)-3,5-dimethyl-1,3-heptadien-1-yl]-7-methyl-6,8-dioxo-7,8-dihydro-6H-isochromen-7-yl acetate [ACD/IUPAC Name]
6H-2-Benzopyran-6,8(7H)-dione, 7-(acetyloxy)-5-chloro-3-[(1Z,3E)-3,5-dimethyl-1,3-heptadien-1-yl]-7-methyl- [ACD/Index Name]
Acétate de 5-chloro-3-[(1Z,3E)-3,5-diméthyl-1,3-heptadién-1-yl]-7-méthyl-6,8-dioxo-7,8-dihydro-6H-isochromén-7-yle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 482.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.8±3.0 kJ/mol
Flash Point: 163.6±27.7 °C
Index of Refraction: 1.558
Molar Refractivity: 102.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 314.14
ACD/KOC (pH 5.5): 2133.27
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 314.14
ACD/KOC (pH 7.4): 2133.27
Polar Surface Area: 70 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 44.8±5.0 dyne/cm
Molar Volume: 317.3±5.0 cm3

Click to predict properties on the Chemicalize site


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