2D structurePubChem CID 19087989
Tożsamość
2-Methylpentyl carbonochloridate
Nie podano · C7H13ClO2
01Tożsamość
| Lazychem ID | LC-43068 |
|---|---|
| CAS RN | Nie podano |
| PubChem CID | 19087989 |
| Molecular formula | C7H13ClO2 |
| Molecular weight | 164.63 g/mol |
| IUPAC name | 2-methylpentyl carbonochloridate |
| InChIKey | QMPBKUJIHMLPIA-UHFFFAOYSA-N |
02Struktura i stereochemia
2D structurePubChem CID 19087989
The parsed structure is acyclic, includes aliphatic carbon, contains at least one halogen atom. These statements are calculated from the published structure string.
| Defined stereocentres | 0 |
|---|---|
| Ring count | 0 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | CCCC(C)COC(=O)Cl |
|---|---|
| InChI | Nie podano |
03Stereochemistry
The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.
Defined centres0Structure assigned
Unassigned centres1Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction
Published same-connectivity configurations
1 recordThese records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.
No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.
Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.
04Status w Indiach
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Nazwy i powiązania
API i lek macierzysty
Nie podano
Nazwy i powiązania
06Źródła
- S01PubChem CID 19087989
Structure and machine-readable chemical identifiers.