ChemSpider 2D Image | 3,5-Dihydroxy-11-methyl-10,17-dioxatricyclo[12.2.1.0~2,7~]heptadeca-1(16),2,4,6,14-pentaen-9-one | C16H16O5

3,5-Dihydroxy-11-methyl-10,17-dioxatricyclo[12.2.1.02,7]heptadeca-1(16),2,4,6,14-pentaen-9-one

  • Molecular FormulaC16H16O5
  • Average mass288.295 Da
  • Monoisotopic mass288.099762 Da
  • ChemSpider ID21155538

More details:

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

3,5-Dihydroxy-11-methyl-10,17-dioxatricyclo[12.2.1.02,7]heptadeca-1(16),2,4,6,14-pentaen-9-on [German] [ACD/IUPAC Name]
3,5-Dihydroxy-11-methyl-10,17-dioxatricyclo[12.2.1.02,7]heptadeca-1(16),2,4,6,14-pentaen-9-one [ACD/IUPAC Name]
3,5-Dihydroxy-11-méthyl-10,17-dioxatricyclo[12.2.1.02,7]heptadéca-1(16),2,4,6,14-pentaén-9-one [French] [ACD/IUPAC Name]
7,10-Epoxy-2H-3-benzoxacyclododecin-2-one, 1,4,5,6-tetrahydro-11,13-dihydroxy-4-methyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 585.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.7±3.0 kJ/mol
Flash Point: 307.8±28.7 °C
Index of Refraction: 1.581
Molar Refractivity: 74.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.04
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 41.41
ACD/KOC (pH 5.5): 500.10
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 38.83
ACD/KOC (pH 7.4): 468.86
Polar Surface Area: 80 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 224.2±3.0 cm3

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