ChemSpider 2D Image | 6-linalyl-2-O,3-dimethylflaviolin | C22H26O5


  • Molecular FormulaC22H26O5
  • Average mass370.439 Da
  • Monoisotopic mass370.178009 Da
  • ChemSpider ID34448554

More details:

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

1,4-Naphthalenedione, 6-(1-ethenyl-1,5-dimethyl-4-hexen-1-yl)-5,7-dihydroxy-2-methoxy-3-methyl- [ACD/Index Name]
6-(3,7-Dimethyl-1,6-octadien-3-yl)-5,7-dihydroxy-2-methoxy-3-methyl-1,4-naphthochinon [German] [ACD/IUPAC Name]
6-(3,7-Dimethyl-1,6-octadien-3-yl)-5,7-dihydroxy-2-methoxy-3-methyl-1,4-naphthoquinone [ACD/IUPAC Name]
6-(3,7-Diméthyl-1,6-octadién-3-yl)-5,7-dihydroxy-2-méthoxy-3-méthyl-1,4-naphtoquinone [French] [ACD/IUPAC Name]
  • Miscellaneous
    • Chemical Class:

      A hydroxy-1,4-naphthoquinone that is 2-<element>O</element>-methylflaviolin in which the hydrogens at positions 3 and 6 are replaced by methyl and linalyl groups respectively. ChEBI CHEBI:82610
      A hydroxy-1,4-naphthoquinone that is 2-O-methylflaviolin in which the hydrogens at positions 3 and 6 are replaced by methyl and linalyl groups respectively. ChEBI

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 558.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.1±3.0 kJ/mol
Flash Point: 192.0±23.6 °C
Index of Refraction: 1.582
Molar Refractivity: 102.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.86
ACD/LogD (pH 5.5): 5.28
ACD/BCF (pH 5.5): 5724.23
ACD/KOC (pH 5.5): 15971.34
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 228.13
ACD/KOC (pH 7.4): 636.53
Polar Surface Area: 84 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 51.0±5.0 dyne/cm
Molar Volume: 307.7±5.0 cm3

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