Tert-butyl 5-oxohexanoate

Base Information

• Chemical Name: Tert-butyl 5-oxohexanoate
• CAS No.: 111490-79-0
• Molecular Formula: C₁₀H₁₈O₃
• Molecular Weight: 186.251
• DSSTox Substance ID: DTXSID60451675
• Nikkaji Number: J1.732.047E
• Wikidata: Q82271804

Synonyms:Tert-butyl 5-oxohexanoate;111490-79-0;Hexanoic acid, 5-oxo-, 1,1-dimethylethyl ester;SCHEMBL7129285;DTXSID60451675;MMRKSDHIAFIOJZ-UHFFFAOYSA-N;5-Oxohexanoic acid tert-butyl ester;MFCD31651518;A1-21327

Chemical Property of Tert-butyl 5-oxohexanoate

Chemical Property:

• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 186.125594432
• Heavy Atom Count: 13
• Complexity: 189

Purity/Quality:

98%+ ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CCCC(=O)OC(C)(C)C

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