ChemSpider 2D Image | 4-Butyl-6-chloro-7-{[(2E)-3,7-dimethyl-2,6-octadien-1-yl]oxy}-2H-chromen-2-one | C23H29ClO3

4-Butyl-6-chloro-7-{[(2E)-3,7-dimethyl-2,6-octadien-1-yl]oxy}-2H-chromen-2-one

  • Molecular FormulaC23H29ClO3
  • Average mass388.928 Da
  • Monoisotopic mass388.180511 Da
  • ChemSpider ID21806730

  • Double-bond stereo - Double-bond stereo

More details:

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

2H-1-Benzopyran-2-one, 4-butyl-6-chloro-7-[[(2E)-3,7-dimethyl-2,6-octadien-1-yl]oxy]- [ACD/Index Name]
4-Butyl-6-chlor-7-{[(2E)-3,7-dimethyl-2,6-octadien-1-yl]oxy}-2H-chromen-2-on [German] [ACD/IUPAC Name]
4-Butyl-6-chloro-7-{[(2E)-3,7-dimethyl-2,6-octadien-1-yl]oxy}-2H-chromen-2-one [ACD/IUPAC Name]
4-Butyl-6-chloro-7-{[(2E)-3,7-diméthyl-2,6-octadién-1-yl]oxy}-2H-chromén-2-one [French] [ACD/IUPAC Name]
4-butyl-6-chloro-7-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-2H-chromen-2-one

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

Density: 1.1±0.1 g/cm3
Boiling Point: 522.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.6±3.0 kJ/mol
Flash Point: 174.5±29.1 °C
Index of Refraction: 1.537
Molar Refractivity: 111.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 8.67
ACD/LogD (pH 5.5): 7.28
ACD/BCF (pH 5.5): 201995.06
ACD/KOC (pH 5.5): 218342.61
ACD/LogD (pH 7.4): 7.28
ACD/BCF (pH 7.4): 201995.06
ACD/KOC (pH 7.4): 218342.61
Polar Surface Area: 36 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 38.0±3.0 dyne/cm
Molar Volume: 357.0±3.0 cm3

Click to predict properties on the Chemicalize site


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