Tert-butyl 5-methyl-3-oxohexanoate

Base Information

• Chemical Name: Tert-butyl 5-methyl-3-oxohexanoate
• CAS No.: 39140-54-0
• Molecular Formula: C₁₁H₂₀O₃
• Molecular Weight: 200.278
• DSSTox Substance ID: DTXSID90558808
• Nikkaji Number: J2.216.603D
• Wikidata: Q82441241
• Mol file: 39140-54-0.mol

Synonyms:39140-54-0;TERT-BUTYL 5-METHYL-3-OXOHEXANOATE;Hexanoic acid, 5-methyl-3-oxo-, 1,1-dimethylethyl ester;SCHEMBL20921978;DTXSID90558808;TERT-BUTYL5-METHYL-3-OXOHEXANOATE;F78939

Chemical Property of Tert-butyl 5-methyl-3-oxohexanoate

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 200.14124450
• Heavy Atom Count: 14
• Complexity: 211

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

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

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