ChemSpider 2D Image | Cannabioxepane | C21H22O2

Cannabioxepane

  • Molecular FormulaC21H22O2
  • Average mass306.398 Da
  • Monoisotopic mass306.161987 Da
  • ChemSpider ID25991471

More details:

Featured data source
Natural Product Updates

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

3-Methyl-10-methylen-6-pentyl-9,10-dihydro[1]benzofuro[4,3,2-def][1]benzoxepin [German] [ACD/IUPAC Name]
3-Methyl-10-methylene-6-pentyl-9,10-dihydro[1]benzofuro[4,3,2-def][1]benzoxepine [ACD/IUPAC Name]
3-Méthyl-10-méthylène-6-pentyl-9,10-dihydro[1]benzofuro[4,3,2-def][1]benzoxépine [French] [ACD/IUPAC Name]
Benzofuro[4,3,2-def][1]benzoxepin, 9,10-dihydro-3-methyl-10-methylene-6-pentyl- [ACD/Index Name]
Cannabioxepane

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

Density: 1.1±0.1 g/cm3
Boiling Point: 457.7±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.0±3.0 kJ/mol
Flash Point: 243.8±11.8 °C
Index of Refraction: 1.629
Molar Refractivity: 95.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.28
ACD/LogD (pH 5.5): 6.97
ACD/BCF (pH 5.5): 117413.20
ACD/KOC (pH 5.5): 148074.98
ACD/LogD (pH 7.4): 6.97
ACD/BCF (pH 7.4): 117413.20
ACD/KOC (pH 7.4): 148074.98
Polar Surface Area: 22 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 46.5±5.0 dyne/cm
Molar Volume: 268.2±5.0 cm3

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