Phytanic Acid
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1215869 | |
| PubChem: | 468706 | |
| IUPAC: | (7R,11R)-3,7,11,15-tetramethylhexadecanoic acid | |
| Standard InChI: | InChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22)/t17-,18-,19?/m1/s1 | |
| Standard InChI Key: | RLCKHJSFHOZMDR-PWCSWUJKSA-N | |
| SMILES: | C[C@@H](CCCC(CC(=O)O)C)CCC[C@@H](CCCC(C)C)C | |
Molecular propeties
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| AlogP: | 6.54 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 14 | |
| Number of rings: | 0 | |
| Molecular Weight: | 312.3 | |
| Topological polar surface area: | 37.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.95 | |
| Number of carbons: | 20 | |