3,7-Dimethyloct-6-Enyl Butanoate
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL3185221 | |
| PubChem: | 8835 | |
| IUPAC: | 3,7-dimethyloct-6-enyl butanoate | |
| Standard InChI: | InChI=1S/C14H26O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,13H,5-7,9-11H2,1-4H3 | |
| Standard InChI Key: | XQPZQXTWYZAXAK-UHFFFAOYSA-N | |
| SMILES: | CCCC(=O)OCCC(CCC=C(C)C)C | |
Molecular propeties
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| AlogP: | 4.1 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 8 | |
| Number of rings: | 0 | |
| Molecular Weight: | 226.19 | |
| Topological polar surface area: | 26.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.786 | |
| Number of carbons: | 14 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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