4,4-Dimethyl-6-heptyn-2-one
4,4-dimethylhept-6-yn-2-one
Also Known As: 4,4-dimethylhept-6-yn-2-one|4,4-Dimethyl-6-heptyn-2-one|4,4-dimethyl-hept-6-yn-2-one|6-Heptyn-2-one, 4,4-dimethyl-|4,4-Dimethyl-6-heptyne-2-one|4,4-Dimethyl-6-heptyn-2-one #|J1.653.846I
CAS: 17520-15-9
| Molecular Formula | C9H14O |
|---|---|
| Molecular Weight | 138.10446 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 138.10446 |
| Monoisotopic Mass | 138.10446 |
| Heavy Atoms | 10 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 17520-15-9 |
|---|---|
| SMILES | CC(=O)CC(C)(C)CC#C |
| InChIKey | PXIVGHUHGWWZJQ-UHFFFAOYSA-N |
Product Overview
4,4-Dimethyl-6-heptyn-2-one (CAS 17520-15-9), with molecular formula C9H14O and molecular weight 138.10446 g/mol. IUPAC: 4,4-dimethylhept-6-yn-2-one.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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