(3S)-3,7,7-Trimethyloct-5-yn-4-one

Base Information

• Chemical Name: (3S)-3,7,7-Trimethyloct-5-yn-4-one
• CAS No.: 87569-08-2
• Molecular Formula: C11H18O
• Molecular Weight: 166.263
• DSSTox Substance ID: DTXSID40527246
• Wikidata: Q82396379

Synonyms:(3S)-3,7,7-Trimethyloct-5-yn-4-one;87569-08-2;DTXSID40527246

Chemical Property of (3S)-3,7,7-Trimethyloct-5-yn-4-one

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 166.135765193
• Heavy Atom Count: 12
• Complexity: 218

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C(=O)C#CC(C)(C)C
• Isomeric SMILES: CC[C@H](C)C(=O)C#CC(C)(C)C

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