Found 1 result

Search term: 78437370 (Found by CSID)
ChemSpider 2D Image | (1S,2S,10R,11R,13S)-4,4-Dimethyl-11-(3-methyl-2-buten-1-yl)-12-methylene-5-oxa-8-azatetracyclo[11.2.1.0~1,10~.0~2,8~]hexadecane | C22H35NO

(1S,2S,10R,11R,13S)-4,4-Dimethyl-11-(3-methyl-2-buten-1-yl)-12-methylene-5-oxa-8-azatetracyclo[11.2.1.01,10.02,8]hexadecane

  • Molecular FormulaC22H35NO
  • Average mass329.519 Da
  • Monoisotopic mass329.271851 Da
  • ChemSpider ID78437370

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S,2S,10R,11R,13S)-4,4-Dimethyl-11-(3-methyl-2-buten-1-yl)-12-methylen-5-oxa-8-azatetracyclo[11.2.1.01,10.02,8]hexadecan [German] [ACD/IUPAC Name]
(1S,2S,10R,11R,13S)-4,4-Dimethyl-11-(3-methyl-2-buten-1-yl)-12-methylene-5-oxa-8-azatetracyclo[11.2.1.01,10.02,8]hexadecane [ACD/IUPAC Name]
(1S,2S,10R,11R,13S)-4,4-Diméthyl-11-(3-méthyl-2-butén-1-yl)-12-méthylène-5-oxa-8-azatétracyclo[11.2.1.01,10.02,8]hexadécane [French] [ACD/IUPAC Name]
7H-10,12a-Methano-2H-cyclohepta[3,4]pyrrolo[1,2-d][1,4]oxazepine, decahydro-2,2-dimethyl-8-(3-methyl-2-buten-1-yl)-9-methylene-, (7aR,8R,10S,12aS,12bS)- [ACD/Index Name]
Concavine

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

Density: 1.0±0.1 g/cm3
Boiling Point: 416.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.0±3.0 kJ/mol
Flash Point: 122.3±31.0 °C
Index of Refraction: 1.543
Molar Refractivity: 100.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.96
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 20.74
ACD/KOC (pH 5.5): 47.10
ACD/LogD (pH 7.4): 4.46
ACD/BCF (pH 7.4): 691.54
ACD/KOC (pH 7.4): 1570.42
Polar Surface Area: 12 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 38.4±5.0 dyne/cm
Molar Volume: 318.9±5.0 cm3

Click to predict properties on the Chemicalize site


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