ChemSpider 2D Image | 4-[(2Z)-2-Hydroxy-4-oxo-2-penten-3-yl]-3,6-bis(2-methyl-2-propanyl)-1,2-benzoquinone | C19H26O4

4-[(2Z)-2-Hydroxy-4-oxo-2-penten-3-yl]-3,6-bis(2-methyl-2-propanyl)-1,2-benzoquinone

  • Molecular FormulaC19H26O4
  • Average mass318.407 Da
  • Monoisotopic mass318.183105 Da
  • ChemSpider ID22813152

  • 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-[(1Z)-1-acetyl-2-hydroxy-1-propen-1-yl]-3,6-bis(1,1-dimethylethyl)- [ACD/Index Name]
4-[(2Z)-2-Hydroxy-4-oxo-2-penten-3-yl]-3,6-bis(2-methyl-2-propanyl)-1,2-benzochinon [German] [ACD/IUPAC Name]
4-[(2Z)-2-Hydroxy-4-oxo-2-penten-3-yl]-3,6-bis(2-methyl-2-propanyl)-1,2-benzoquinone [ACD/IUPAC Name]
4-[(2Z)-2-Hydroxy-4-oxo-2-pentén-3-yl]-3,6-bis(2-méthyl-2-propanyl)-1,2-benzoquinone [French] [ACD/IUPAC Name]
3,6-DITERT-BUTYL-4-[(Z)-2-HYDROXY-4-OXOPENT-2-EN-3-YL]CYCLOHEXA-3,5-DIENE-1,2-DIONE
4-(1-acetyl-2-hydroxy-1-propen-1-yl)-3,6-di-tert-butylbenzo-1,2-quinone

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

Density: 1.1±0.1 g/cm3
Boiling Point: 409.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 76.5±6.0 kJ/mol
Flash Point: 215.8±25.2 °C
Index of Refraction: 1.531
Molar Refractivity: 87.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.65
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 50.85
ACD/KOC (pH 5.5): 578.90
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 41.63
ACD/KOC (pH 7.4): 473.96
Polar Surface Area: 71 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 284.0±3.0 cm3

Click to predict properties on the Chemicalize site


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