3-(2,2-Dimethyloxan-4-yl)-4-methylpentanenitrile
3-(2,2-dimethyloxan-4-yl)-4-methylpentanenitrile
Also Known As: 3-(2,2-dimethyloxan-4-yl)-4-methylpentanenitrile|3-(2,2-dimethyloxan-4-yl)-4-methylpentaneni-trile|3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-4-methylpentanenitrile
CAS: 858754-66-2
| Molecular Formula | C13H23NO |
|---|---|
| Molecular Weight | 209.17796 g/mol |
| LogP | 3.37748 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.17796 |
| Monoisotopic Mass | 209.17796 |
| Heavy Atoms | 15 |
| Complexity | 239.41074 |
Chemical Identifiers
| CAS Number | 858754-66-2 |
|---|---|
| SMILES | CC(C)C(CC#N)C1CCOC(C1)(C)C |
Product Overview
3-(2,2-Dimethyloxan-4-yl)-4-methylpentanenitrile (CAS 858754-66-2), with molecular formula C13H23NO and molecular weight 209.17796 g/mol. IUPAC: 3-(2,2-dimethyloxan-4-yl)-4-methylpentanenitrile.
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.
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