ChemSpider 2D Image | 6-[(2E)-2-Buten-2-yl]-1-[(2Z)-2-buten-2-yl]-3,8-dihydroxy-4,9-dimethyl-11H-dibenzo[b,e][1,4]dioxepin-11-one | C23H24O5

6-[(2E)-2-Buten-2-yl]-1-[(2Z)-2-buten-2-yl]-3,8-dihydroxy-4,9-dimethyl-11H-dibenzo[b,e][1,4]dioxepin-11-one

  • Molecular FormulaC23H24O5
  • Average mass380.434 Da
  • Monoisotopic mass380.162384 Da
  • ChemSpider ID109828008

  • Double-bond stereo - Double-bond stereo

More details:

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

11H-Dibenzo[b,e][1,4]dioxepin-11-one, 3,8-dihydroxy-4,9-dimethyl-6-[(1E)-1-methyl-1-propen-1-yl]-1-[(1Z)-1-methyl-1-propen-1-yl]- [ACD/Index Name]
6-[(2E)-2-Buten-2-yl]-1-[(2Z)-2-buten-2-yl]-3,8-dihydroxy-4,9-dimethyl-11H-dibenzo[b,e][1,4]dioxepin-11-on [German] [ACD/IUPAC Name]
6-[(2E)-2-Buten-2-yl]-1-[(2Z)-2-buten-2-yl]-3,8-dihydroxy-4,9-dimethyl-11H-dibenzo[b,e][1,4]dioxepin-11-one [ACD/IUPAC Name]
6-[(2E)-2-Butén-2-yl]-1-[(2Z)-2-butén-2-yl]-3,8-dihydroxy-4,9-diméthyl-11H-dibenzo[b,e][1,4]dioxépin-11-one [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 588.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.1±3.0 kJ/mol
Flash Point: 204.3±23.6 °C
Index of Refraction: 1.611
Molar Refractivity: 108.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.64
ACD/LogD (pH 5.5): 5.73
ACD/BCF (pH 5.5): 13403.34
ACD/KOC (pH 5.5): 31301.52
ACD/LogD (pH 7.4): 5.66
ACD/BCF (pH 7.4): 11356.54
ACD/KOC (pH 7.4): 26521.51
Polar Surface Area: 76 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 313.5±3.0 cm3

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