ChemSpider 2D Image | (1R,2S,7S,8R,11S,12R)-12-Methyl-6-methylene-14-oxa-17-azahexacyclo[10.6.3.1~5,8~.0~1,11~.0~2,8~.0~13,17~]docosan-7-ol | C22H33NO2

(1R,2S,7S,8R,11S,12R)-12-Methyl-6-methylene-14-oxa-17-azahexacyclo[10.6.3.15,8.01,11.02,8.013,17]docosan-7-ol

  • Molecular FormulaC22H33NO2
  • Average mass343.503 Da
  • Monoisotopic mass343.251129 Da
  • ChemSpider ID35518543

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(1R,2S,7S,8R,11S,12R)-12-Methyl-6-methylen-14-oxa-17-azahexacyclo[10.6.3.15,8.01,11.02,8.013,17]docosan-7-ol [German] [ACD/IUPAC Name]
(1R,2S,7S,8R,11S,12R)-12-Methyl-6-methylene-14-oxa-17-azahexacyclo[10.6.3.15,8.01,11.02,8.013,17]docosan-7-ol [ACD/IUPAC Name]
(1R,2S,7S,8R,11S,12R)-12-Méthyl-6-méthylène-14-oxa-17-azahexacyclo[10.6.3.15,8.01,11.02,8.013,17]docosan-7-ol [French] [ACD/IUPAC Name]
Garryine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 482.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 86.1±6.0 kJ/mol
Flash Point: 245.4±28.7 °C
Index of Refraction: 1.602
Molar Refractivity: 98.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 9.58
ACD/KOC (pH 5.5): 58.87
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 280.14
ACD/KOC (pH 7.4): 1720.77
Polar Surface Area: 33 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 50.1±5.0 dyne/cm
Molar Volume: 286.5±5.0 cm3

Click to predict properties on the Chemicalize site


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