| Sonrisas canónicas | CCCCC(CO)NC(=O)OC(C)(C)C |
|---|---|
| IUPAC Name | tert-butyl N-[(2S)-1-hydroxyhexan-2-yl]carbamate |
| InChIKey | KCKPPJXOWKJHDP-VIFPVBQESA-N |
| INCHI | 1S/C11H23NO3/c1-5-6-7-9(8-13)12-10(14)15-11(2,3)4/h9,13H,5-8H2,1-4H3,(H,12,14)/t9-/m0/s1 |
| Isómeros SMILES | CCCC[C@@H](CO)NC(=O)OC(C)(C)C |
| PubChem CID | 13969856 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Clase | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Carbamic acids and derivatives |
| Direct Parent | Carbamate esters |
| Alternative Parents | Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Carbamic acid ester - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as carbamate esters. These are compounds containing an ester of carbamic acid with the general structure R2NC(=O)OR' (R' not H). They are esters of carbamic acids. |
| External Descriptors | Not available |
| Peso molecular | 217.310 g/mol |
|---|---|
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 7 |
| Exact Mass | 217.168 Da |
| Monoisotopic Mass | 217.168 Da |
| Topological Polar Surface Area | 58.600 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 187.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
