2,6,7-Trioxabicyclo[2.2.2]octane, 4-methyl-1-(4-pentynyl)-

Base Information

• Chemical Name: 2,6,7-Trioxabicyclo[2.2.2]octane, 4-methyl-1-(4-pentynyl)-
• CAS No.: 89276-37-9
• Molecular Formula: C11H16O3
• Molecular Weight: 196.24300
• DSSTox Substance ID: DTXSID50462972
• Wikidata: Q82287651

Synonyms:89276-37-9;2,6,7-Trioxabicyclo[2.2.2]octane, 4-methyl-1-(4-pentynyl)-;SCHEMBL14446703;DTXSID50462972

Chemical Property of 2,6,7-Trioxabicyclo[2.2.2]octane, 4-methyl-1-(4-pentynyl)-

Chemical Property:

• Boiling Point: 235.4±20.0 °C(Predicted)
• PSA: 27.69000
• Density: 1.112±0.06 g/cm3(Predicted)
• LogP: 1.52700
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 196.109944368
• Heavy Atom Count: 14
• Complexity: 238

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12COC(OC1)(OC2)CCCC#C

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