2-Dodecyl-3-Methylbutanedioic Acid
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL1417088 | |
| PubChem: | 99891 | |
| IUPAC: | 2-dodecyl-3-methylbutanedioic acid | |
| Standard InChI: | InChI=1S/C17H32O4/c1-3-4-5-6-7-8-9-10-11-12-13-15(17(20)21)14(2)16(18)19/h14-15H,3-13H2,1-2H3,(H,18,19)(H,20,21) | |
| Standard InChI Key: | CADNMISJDLVPCK-UHFFFAOYSA-N | |
| SMILES: | CCCCCCCCCCCCC(C(C(=O)O)C)C(=O)O | |
Molecular propeties
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| AlogP: | 4.72 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 14 | |
| Number of rings: | 0 | |
| Molecular Weight: | 300.23 | |
| Topological polar surface area: | 74.6 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.882 | |
| Number of carbons: | 17 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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