ChemSpider 2D Image | 8-Hydroxy-3-methoxy-11-oxo-1-(2-oxopentyl)-6-pentyl-11H-dibenzo[b,e][1,4]dioxepine-7-carboxylic acid | C25H28O8

8-Hydroxy-3-methoxy-11-oxo-1-(2-oxopentyl)-6-pentyl-11H-dibenzo[b,e][1,4]dioxepine-7-carboxylic acid

  • Molecular FormulaC25H28O8
  • Average mass456.485 Da
  • Monoisotopic mass456.178406 Da
  • ChemSpider ID28674560

More details:

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

11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 8-hydroxy-3-methoxy-11-oxo-1-(2-oxopentyl)-6-pentyl- [ACD/Index Name]
8-Hydroxy-3-methoxy-11-oxo-1-(2-oxopentyl)-6-pentyl-11H-dibenzo[b,e][1,4]dioxepin-7-carbonsäure [German] [ACD/IUPAC Name]
8-Hydroxy-3-methoxy-11-oxo-1-(2-oxopentyl)-6-pentyl-11H-dibenzo[b,e][1,4]dioxepine-7-carboxylic acid [ACD/IUPAC Name]
Acide 8-hydroxy-3-méthoxy-11-oxo-1-(2-oxopentyl)-6-pentyl-11H-dibenzo[b,e][1,4]dioxépine-7-carboxylique [French] [ACD/IUPAC Name]
113706-23-3 [RN]
11H-DIBENZO[B,E][1,4]DIOXEPIN-7-CARBOXYLICACID, 8-HYDROXY-3-METHOXY-11-OXO-1-(2-OXOPENTYL)-6-PENTYL-

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

Density: 1.3±0.1 g/cm3
Boiling Point: 666.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.9±3.0 kJ/mol
Flash Point: 225.1±25.0 °C
Index of Refraction: 1.580
Molar Refractivity: 119.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.80
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 12.87
ACD/KOC (pH 5.5): 29.44
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 10.26
ACD/KOC (pH 7.4): 23.47
Polar Surface Area: 119 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 359.1±3.0 cm3

Click to predict properties on the Chemicalize site


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