| CAS Number | 2022370-40-5 |
| Catalog Number | AG01EMQL |
| Chemical Name | 1-tert-butyl 4-ethyl 4-(prop-2-yn-1-yl)piperidine-1,4-dicarboxylate |
| IUPAC Name | 1-O-tert-butyl 4-O-ethyl 4-prop-2-ynylpiperidine-1,4-dicarboxylate |
| InChI | InChI=1S/C16H25NO4/c1-6-8-16(13(18)20-7-2)9-11-17(12-10-16)14(19)21-15(3,4)5/h1H,7-12H2,2-5H3 |
| InChI Key | QJYHJRUANMHGCG-UHFFFAOYSA-N |
| MDL Number | MFCD31666518 |
| Molecular Formula | C16H25NO4 |
| Molecular Weight | 295.374 |
| SMILES | CCOC(C1(CCN(C(OC(C)(C)C)=O)CC1)CC#C)=O |
| Synonyms | 1-tert-butyl 4-ethyl 4-(prop-2-yn-1-yl)piperidine-1,4-dicarboxylate,
2022370-40-5,
|
| Complexity | 433 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.178g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 295.379g/mol |
| Monoisotopic Mass | 295.178g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number