3-Methylbut-2-En-1-Ol
Representations & DB's id
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| ChEBI: | CHEBI:16019 | |
|---|---|---|
| ChEMBL: | CHEMBL3184952 | |
| PubChem: | 11173 | |
| IUPAC: | 3-methylbut-2-en-1-ol | |
| Standard InChI: | InChI=1S/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3 | |
| Standard InChI Key: | ASUAYTHWZCLXAN-UHFFFAOYSA-N | |
| SMILES: | OCC=C(C)C | |
Molecular propeties
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| AlogP: | 0.94 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 0 | |
| Molecular Weight: | 86.07 | |
| Topological polar surface area: | 20.2 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.6 | |
| Number of carbons: | 5 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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