(E)-Linalool Oxide
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL2252947 | |
| PubChem: | 6432254 | |
| IUPAC: | 2-[(2S,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-2-ol | |
| Standard InChI: | InChI=1S/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3/t8-,10+/m0/s1 | |
| Standard InChI Key: | BRHDDEIRQPDPMG-WCBMZHEXSA-N | |
| SMILES: | C=C[C@]1(C)CC[C@H](O1)C(O)(C)C | |
Molecular propeties
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| AlogP: | 1.88 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 1 | |
| Molecular Weight: | 170.13 | |
| Topological polar surface area: | 29.5 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.8 | |
| Number of carbons: | 10 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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