2D structurePubChem CID 16666688
Tapatybė
3-Hydroxy-3-methylhexanoic acid
Nenurodyta · C7H14O3
01Tapatybė
| Lazychem ID | LC-70029 |
|---|---|
| CAS RN | Nenurodyta |
| PubChem CID | 16666688 |
| Molecular formula | C7H14O3 |
| Molecular weight | 146.18 g/mol |
| IUPAC name | 3-hydroxy-3-methylhexanoic acid |
| InChIKey | RGRNSTGIHROKJB-UHFFFAOYSA-N |
02Struktūra ir stereochemija
2D structurePubChem CID 16666688
The parsed structure is acyclic, includes aliphatic carbon. These statements are calculated from the published structure string.
| Defined stereocentres | 0 |
|---|---|
| Ring count | 0 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | CCCC(C)(CC(=O)O)O |
|---|---|
| InChI | Nenurodyta |
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.
04Statusas Indijoje
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Pavadinimai ir ryšiai
API ir pirminis vaistas
Nenurodyta
Pavadinimai ir ryšiai
06Šaltiniai
- S01PubChem CID 16666688
Structure and machine-readable chemical identifiers.