ChemSpider 2D Image | (6aR)-1-Hydroxy-6,6-dimethyl-3-(2-methyl-2-octanyl)-6,6a,7,8,10,10a-hexahydro-9H-benzo[c]chromen-9-one | C24H36O3

(6aR)-1-Hydroxy-6,6-dimethyl-3-(2-methyl-2-octanyl)-6,6a,7,8,10,10a-hexahydro-9H-benzo[c]chromen-9-one

  • Molecular FormulaC24H36O3
  • Average mass372.541 Da
  • Monoisotopic mass372.266449 Da
  • ChemSpider ID23226445

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(6aR)-1-Hydroxy-6,6-dimethyl-3-(2-methyl-2-octanyl)-6,6a,7,8,10,10a-hexahydro-9H-benzo[c]chromen-9-on [German] [ACD/IUPAC Name]
(6aR)-1-Hydroxy-6,6-dimethyl-3-(2-methyl-2-octanyl)-6,6a,7,8,10,10a-hexahydro-9H-benzo[c]chromen-9-one [ACD/IUPAC Name]
(6aR)-1-Hydroxy-6,6-diméthyl-3-(2-méthyl-2-octanyl)-6,6a,7,8,10,10a-hexahydro-9H-benzo[c]chromén-9-one [French] [ACD/IUPAC Name]
(6aR)-1-hydroxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-6,6a,7,8,10,10a-hexahydro-9H-benzo[c]chromen-9-one
9H-Dibenzo[b,d]pyran-9-one, 3-(1,1-dimethylheptyl)-6,6a,7,8,10,10a-hexahydro-1-hydroxy-6,6-dimethyl-, (6aR)- [ACD/Index Name]
3-(1,1-Dimethyl-heptyl)-1-hydroxy-6,6-dimethyl-6,6a,7,8,10,10a-hexahydro-benzo[c]chromen-9-one(nabilone)
51022-71-0 [RN]
cis-Nabilone
nabilone [BAN] [INN] [USAN] [Wiki]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 457.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.5±3.0 kJ/mol
Flash Point: 145.4±22.2 °C
Index of Refraction: 1.517
Molar Refractivity: 109.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.05
ACD/LogD (pH 5.5): 7.20
ACD/BCF (pH 5.5): 175300.05
ACD/KOC (pH 5.5): 197272.84
ACD/LogD (pH 7.4): 7.20
ACD/BCF (pH 7.4): 174369.23
ACD/KOC (pH 7.4): 196225.36
Polar Surface Area: 47 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 36.9±3.0 dyne/cm
Molar Volume: 361.8±3.0 cm3

Click to predict properties on the Chemicalize site


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