ChemSpider 2D Image | 3,6-Dihydroxy-4-isobutyryl-2,6-bis(3-methyl-2-buten-1-yl)-5-oxo-1,3-cyclohexadien-1-olate | C20H27O5

3,6-Dihydroxy-4-isobutyryl-2,6-bis(3-methyl-2-buten-1-yl)-5-oxo-1,3-cyclohexadien-1-olate

  • Molecular FormulaC20H27O5
  • Average mass347.426 Da
  • Monoisotopic mass347.186401 Da
  • ChemSpider ID24784736

  • Charge - Charge

More details:

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

2,4-Cyclohexadien-1-one, 3,5,6-trihydroxy-4,6-bis(3-methyl-2-buten-1-yl)-2-(2-methyl-1-oxopropyl)-, ion(1-) [ACD/Index Name]
3,6-Dihydroxy-4-isobutyryl-2,6-bis(3-methyl-2-buten-1-yl)-5-oxo-1,3-cyclohexadien-1-olat [German] [ACD/IUPAC Name]
3,6-Dihydroxy-4-isobutyryl-2,6-bis(3-methyl-2-buten-1-yl)-5-oxo-1,3-cyclohexadien-1-olate [ACD/IUPAC Name]
3,6-Dihydroxy-4-isobutyryl-2,6-bis(3-méthyl-2-butén-1-yl)-5-oxo-1,3-cyclohexadién-1-olate [French] [ACD/IUPAC Name]
cohumulone

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

Density:
Boiling Point: 562.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.2±6.0 kJ/mol
Flash Point: 308.1±26.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 6.99
ACD/KOC (pH 5.5): 50.91
ACD/LogD (pH 7.4): 0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.21
Polar Surface Area: 98 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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