Found 2 results

Search term: QPJFEVOJXXMYHH (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4-[(2E,4E)-2,4-Hexadienoyl]-5-hydroxy-3,6-dimethyl-1,2-benzoquinone | C14H14O4

4-[(2E,4E)-2,4-Hexadienoyl]-5-hydroxy-3,6-dimethyl-1,2-benzoquinone

  • Molecular FormulaC14H14O4
  • Average mass246.259 Da
  • Monoisotopic mass246.089203 Da
  • ChemSpider ID123960016

  • Double-bond stereo - Double-bond stereo

More details:

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

3,5-Cyclohexadiene-1,2-dione, 4-hydroxy-3,6-dimethyl-5-[(2E,4E)-1-oxo-2,4-hexadien-1-yl]- [ACD/Index Name]
4-[(2E,4E)-2,4-Hexadienoyl]-5-hydroxy-3,6-dimethyl-1,2-benzochinon [German] [ACD/IUPAC Name]
4-[(2E,4E)-2,4-Hexadienoyl]-5-hydroxy-3,6-dimethyl-1,2-benzoquinone [ACD/IUPAC Name]
4-[(2E,4E)-2,4-Hexadienoyl]-5-hydroxy-3,6-diméthyl-1,2-benzoquinone [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: 328.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 66.1±6.0 kJ/mol
Flash Point: 166.5±24.4 °C
Index of Refraction: 1.576
Molar Refractivity: 66.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.27
ACD/LogD (pH 5.5): 0.70
ACD/BCF (pH 5.5): 1.12
ACD/KOC (pH 5.5): 19.14
ACD/LogD (pH 7.4): -1.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 71 Å2
Polarizability: 26.2±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 199.5±3.0 cm3

Click to predict properties on the Chemicalize site


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