Methyl 3,7-Dimethylocta-2,6-Dienoate
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL3184963 | |
| PubChem: | 70917 | |
| IUPAC: | methyl 3,7-dimethylocta-2,6-dienoate | |
| Standard InChI: | InChI=1S/C11H18O2/c1-9(2)6-5-7-10(3)8-11(12)13-4/h6,8H,5,7H2,1-4H3 | |
| Standard InChI Key: | ACOBBFVLNKYODD-UHFFFAOYSA-N | |
| SMILES: | COC(=O)C=C(CCC=C(C)C)C | |
Molecular propeties
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| AlogP: | 2.85 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 0 | |
| Molecular Weight: | 182.13 | |
| Topological polar surface area: | 26.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.545 | |
| Number of carbons: | 11 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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