ChemSpider 2D Image | (2E)-2-[(4,5-Dimethoxy-2-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)methylene]undecanoic acid | C21H30O6

(2E)-2-[(4,5-Dimethoxy-2-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)methylene]undecanoic acid

  • Molecular FormulaC21H30O6
  • Average mass378.459 Da
  • Monoisotopic mass378.204254 Da
  • ChemSpider ID68054714

More details:

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

(2E)-2-[(4,5-Dimethoxy-2-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)methylen]undecansäure [German] [ACD/IUPAC Name]
(2E)-2-[(4,5-Dimethoxy-2-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)methylene]undecanoic acid [ACD/IUPAC Name]
Acide (2E)-2-[(4,5-diméthoxy-2-méthyl-3,6-dioxo-1,4-cyclohexadién-1-yl)méthylène]undécanoïque [French] [ACD/IUPAC Name]
Undecanoic acid, 2-[(4,5-dimethoxy-2-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)methylene]-, (2E)- [ACD/Index 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: 542.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 89.7±6.0 kJ/mol
Flash Point: 183.2±23.6 °C
Index of Refraction: 1.517
Molar Refractivity: 101.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 4.50
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 130.35
ACD/KOC (pH 5.5): 506.70
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 2.13
ACD/KOC (pH 7.4): 8.29
Polar Surface Area: 90 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 43.5±5.0 dyne/cm
Molar Volume: 334.5±5.0 cm3

Click to predict properties on the Chemicalize site


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