Hexanenitrile, 4-ethyl-4-methyl-3-oxo-
4-ethyl-4-methyl-3-oxohexanenitrile
Also Known As: 4-ethyl-4-methyl-3-oxohexanenitrile|Hexanenitrile, 4-ethyl-4-methyl-3-oxo-|(2-ethyl-2-methylbutyryl)acetonitrile|4-Ethyl-4-methyl-3-oxo-hexanenitrile|1-ethyl-1-methylpropyl cyanomethyl ketone|YM 13650
CAS: 87539-07-9
| Molecular Formula | C9H15NO |
|---|---|
| Molecular Weight | 153.11537 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 153.11537 |
| Monoisotopic Mass | 153.11537 |
| Heavy Atoms | 11 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 87539-07-9 |
|---|---|
| SMILES | CCC(C)(CC)C(=O)CC#N |
| InChIKey | GYQJBKNRGDNJOA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Agrochemicals (6 patents)
Heterocyclic Building Blocks (31 patents)
Organic Building Blocks (6 patents)
Pharmaceutical Intermediates (1 patents)
Product Overview
Hexanenitrile, 4-ethyl-4-methyl-3-oxo- (CAS 87539-07-9), with molecular formula C9H15NO and molecular weight 153.11537 g/mol. IUPAC: 4-ethyl-4-methyl-3-oxohexanenitrile.
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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