ChemSpider 2D Image | 1,3,7-Trihydroxy-6-methoxy-2,8-bis(3-methyl-2-buten-1-yl)-11H-dibenzo[b,e][1,4]dioxepin-11-one | C24H26O7

1,3,7-Trihydroxy-6-methoxy-2,8-bis(3-methyl-2-buten-1-yl)-11H-dibenzo[b,e][1,4]dioxepin-11-one

  • Molecular FormulaC24H26O7
  • Average mass426.459 Da
  • Monoisotopic mass426.167847 Da
  • ChemSpider ID26351218

More details:

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

1,3,7-Trihydroxy-6-methoxy-2,8-bis(3-methyl-2-buten-1-yl)-11H-dibenzo[b,e][1,4]dioxepin-11-on [German] [ACD/IUPAC Name]
1,3,7-Trihydroxy-6-methoxy-2,8-bis(3-methyl-2-buten-1-yl)-11H-dibenzo[b,e][1,4]dioxepin-11-one [ACD/IUPAC Name]
1,3,7-Trihydroxy-6-méthoxy-2,8-bis(3-méthyl-2-butén-1-yl)-11H-dibenzo[b,e][1,4]dioxépin-11-one [French] [ACD/IUPAC Name]
11H-Dibenzo[b,e][1,4]dioxepin-11-one, 1,3,7-trihydroxy-6-methoxy-2,8-bis(3-methyl-2-buten-1-yl)- [ACD/Index Name]
1243249-16-2 [RN]
2,7,9-trihydroxy-1-methoxy-3,8-bis(3-methylbut-2-enyl)benzo[b][1,4]benzodioxepin-6-one
PAUCINERVIN A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 649.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 222.5±25.0 °C
Index of Refraction: 1.614
Molar Refractivity: 116.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.56
ACD/LogD (pH 5.5): 5.33
ACD/BCF (pH 5.5): 6604.81
ACD/KOC (pH 5.5): 18781.34
ACD/LogD (pH 7.4): 4.96
ACD/BCF (pH 7.4): 2789.23
ACD/KOC (pH 7.4): 7931.39
Polar Surface Area: 105 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 333.2±3.0 cm3

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