(2,2,4-Trimethyl-3-Bicyclo[2.2.1]Heptanyl) Acetate
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL3186375 | |
| PubChem: | 107217 | |
| IUPAC: | (2,2,4-trimethyl-3-bicyclo[2.2.1]heptanyl) acetate | |
| Standard InChI: | InChI=1S/C12H20O2/c1-8(13)14-10-11(2,3)9-5-6-12(10,4)7-9/h9-10H,5-7H2,1-4H3 | |
| Standard InChI Key: | JUWUWIGZUVEFQB-UHFFFAOYSA-N | |
| SMILES: | CC(=O)OC1C2(C)CCC(C1(C)C)C2 | |
Molecular propeties
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| AlogP: | 2.76 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 2 | |
| Molecular Weight: | 196.15 | |
| Topological polar surface area: | 26.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.917 | |
| Number of carbons: | 12 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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