2,6-Dimethyl-7-octen-3-one

Base Information

• Chemical Name: 2,6-Dimethyl-7-octen-3-one
• CAS No.: 19776-07-9
• Molecular Formula: C₁₀H₁₈O
• Molecular Weight: 154.252
• DSSTox Substance ID: DTXSID301311857
• Metabolomics Workbench ID: 45273
• Nikkaji Number: J988.119K

Synonyms:2,6-Dimethyl-7-octen-3-one;2,6-dimethyloct-7-en-3-one;SCHEMBL17249387;YKQHXMHPGBDHLV-UHFFFAOYSA-;DTXSID301311857;51117-36-3;InChI=1/C10H18O/c1-5-9(4)6-7-10(11)8(2)3/h5,8-9H,1,6-7H2,2-4H3

Chemical Property of 2,6-Dimethyl-7-octen-3-one

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 154.135765193
• Heavy Atom Count: 11
• Complexity: 136

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MSDS Files:

Useful:

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

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