3,3-Dimethylhex-5-ynal

Base Information

• Chemical Name: 3,3-Dimethylhex-5-ynal
• CAS No.: 135879-26-4
• Molecular Formula: C8H12O
• Molecular Weight: 124.183
• DSSTox Substance ID: DTXSID50577499
• Nikkaji Number: J1.101.191H
• Wikidata: Q82467526
• Mol file: 135879-26-4.mol

Synonyms:3,3-Dimethylhex-5-ynal;135879-26-4;DTXSID50577499

Chemical Property of 3,3-Dimethylhex-5-ynal

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 124.088815002
• Heavy Atom Count: 9
• Complexity: 136

Purity/Quality:

98%min ^*data from raw suppliers

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• Canonical SMILES: CC(C)(CC=O)CC#C

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