(3S)-3-(1,1-Dimethylethoxy)-1-octyne

Base Information

• Chemical Name: (3S)-3-(1,1-Dimethylethoxy)-1-octyne
• CAS No.: 51051-11-7
• Molecular Formula: C₁₂H₂₂O
• Molecular Weight: 182.306
• DSSTox Substance ID: DTXSID301291237

Synonyms:(3S)-3-(1,1-Dimethylethoxy)-1-octyne;SCHEMBL10976884;DTXSID301291237;51051-11-7

Chemical Property of (3S)-3-(1,1-Dimethylethoxy)-1-octyne

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 182.167065321
• Heavy Atom Count: 13
• Complexity: 167

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MSDS Files:

Useful:

• Canonical SMILES: CCCCCC(C#C)OC(C)(C)C
• Isomeric SMILES: CCCCC[C@@H](C#C)OC(C)(C)C

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