Rhodinyl Acetate
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL3138716 | |
| PubChem: | 36690979 | |
| IUPAC: | [(3R)-3,7-dimethyloct-7-enyl] acetate | |
| Standard InChI: | InChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h11H,1,5-9H2,2-4H3/t11-/m1/s1 | |
| Standard InChI Key: | WNXJCQNXNOOMDJ-LLVKDONJSA-N | |
| SMILES: | C[C@@H](CCOC(=O)C)CCCC(=C)C | |
Molecular propeties
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| AlogP: | 3.32 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 7 | |
| Number of rings: | 0 | |
| Molecular Weight: | 198.16 | |
| Topological polar surface area: | 26.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.75 | |
| Number of carbons: | 12 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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