Ethyl 3,3-dimethylhexanoate

Base Information

• Chemical Name: Ethyl 3,3-dimethylhexanoate
• CAS No.: 116169-12-1
• Molecular Formula: C10H20O2
• Molecular Weight: 172.268
• DSSTox Substance ID: DTXSID00558718
• Nikkaji Number: J1.837.829I
• Wikidata: Q82441108
• Mol file: 116169-12-1.mol

Synonyms:ethyl 3,3-dimethylhexanoate;116169-12-1;SCHEMBL4996013;DTXSID00558718

Chemical Property of Ethyl 3,3-dimethylhexanoate

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 172.146329876
• Heavy Atom Count: 12
• Complexity: 139

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

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

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