ChemSpider 2D Image | 3-Chloro-5-[(2E,6Z)-7-(5,5-dimethyl-4-oxotetrahydro-2-furanyl)-3-methyl-2,6-octadien-1-yl]-4,6-dihydroxy-2-methylbenzaldehyde | C23H29ClO5

3-Chloro-5-[(2E,6Z)-7-(5,5-dimethyl-4-oxotetrahydro-2-furanyl)-3-methyl-2,6-octadien-1-yl]-4,6-dihydroxy-2-methylbenzaldehyde

  • Molecular FormulaC23H29ClO5
  • Average mass420.926 Da
  • Monoisotopic mass420.170349 Da
  • ChemSpider ID95684717

  • Double-bond stereo - Double-bond stereo

More details:

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

3-Chlor-5-[(2E,6Z)-7-(5,5-dimethyl-4-oxotetrahydro-2-furanyl)-3-methyl-2,6-octadien-1-yl]-4,6-dihydroxy-2-methylbenzaldehyd [German] [ACD/IUPAC Name]
3-Chloro-5-[(2E,6Z)-7-(5,5-dimethyl-4-oxotetrahydro-2-furanyl)-3-methyl-2,6-octadien-1-yl]-4,6-dihydroxy-2-methylbenzaldehyde [ACD/IUPAC Name]
3-Chloro-5-[(2E,6Z)-7-(5,5-diméthyl-4-oxotétrahydro-2-furanyl)-3-méthyl-2,6-octadién-1-yl]-4,6-dihydroxy-2-méthylbenzaldéhyde [French] [ACD/IUPAC Name]
Benzaldehyde, 3-chloro-4,6-dihydroxy-2-methyl-5-[(2E,6Z)-3-methyl-7-(tetrahydro-5,5-dimethyl-4-oxo-2-furanyl)-2,6-octadien-1-yl]- [ACD/Index 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: 581.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.1±3.0 kJ/mol
Flash Point: 305.3±30.1 °C
Index of Refraction: 1.578
Molar Refractivity: 115.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.78
ACD/LogD (pH 5.5): 5.55
ACD/BCF (pH 5.5): 9322.31
ACD/KOC (pH 5.5): 23164.37
ACD/LogD (pH 7.4): 4.46
ACD/BCF (pH 7.4): 763.78
ACD/KOC (pH 7.4): 1897.85
Polar Surface Area: 84 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 47.6±3.0 dyne/cm
Molar Volume: 348.6±3.0 cm3

Click to predict properties on the Chemicalize site


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