ChemSpider 2D Image | 3-(3,7-Dimethyl-1,6-octadien-3-yl)-5,7-dihydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenolate | C20H21O5

3-(3,7-Dimethyl-1,6-octadien-3-yl)-5,7-dihydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenolate

  • Molecular FormulaC20H21O5
  • Average mass341.378 Da
  • Monoisotopic mass341.139435 Da
  • ChemSpider ID31150545

  • Charge - Charge

More details:

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

1,4-Naphthalenedione, 3-(1-ethenyl-1,5-dimethyl-4-hexen-1-yl)-2,5,7-trihydroxy-, ion(1-) [ACD/Index Name]
3-(3,7-Diméthyl-1,6-octadién-3-yl)-5,7-dihydroxy-1,4-dioxo-1,4-dihydro-2-naphtalénolate [French] [ACD/IUPAC Name]
3-(3,7-Dimethyl-1,6-octadien-3-yl)-5,7-dihydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenolate [ACD/IUPAC Name]
3-(3,7-Dimethyl-1,6-octadien-3-yl)-5,7-dihydroxy-1,4-dioxo-1,4-dihydro-2-naphthalinolat [German] [ACD/IUPAC Name]
3-(3,7-dimethylocta-1,6-dien-3-yl)-5,7-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-olate
3-linalylflaviolin
3-linalylflaviolin(1-)
3-linalylflaviolin-2-olate
  • Miscellaneous

    • Chemical Class:

      An organic anion that is the conjugate base of 3-linalylflaviolin, obtained by deprotonation of the 2-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). ChEBI CHEBI:78347

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

Density:
Boiling Point: 537.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.5±3.0 kJ/mol
Flash Point: 293.2±26.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.49
ACD/LogD (pH 5.5): 3.97
ACD/BCF (pH 5.5): 388.61
ACD/KOC (pH 5.5): 1432.73
ACD/LogD (pH 7.4): 1.48
ACD/BCF (pH 7.4): 1.23
ACD/KOC (pH 7.4): 4.55
Polar Surface Area: 98 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement