2,2,5-Trimethylhex-5-enal

Base Information

• Chemical Name: 2,2,5-Trimethylhex-5-enal
• CAS No.: 81331-91-1
• Molecular Formula: C9H16O
• Molecular Weight: 140.225
• DSSTox Substance ID: DTXSID60513348
• Wikidata: Q82373119

Synonyms:2,2,5-Trimethylhex-5-enal;81331-91-1;2,2,5-trimethyl-5-hexenal;2,2,5-trimethyl-hex-5-enal;SCHEMBL15628055;DTXSID60513348;EN300-1623513

Chemical Property of 2,2,5-Trimethylhex-5-enal

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 140.120115130
• Heavy Atom Count: 10
• Complexity: 134

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

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MSDS Files:

Useful:

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

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