9-Hydroxy-cis-11-octadecenoic acid
PubChem CID: 101243096
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| Compound Synonyms | 9-hydroxy-cis-11-octadecenoic acid, 9-hydroxy-11Z-Octadecenoic acid, 11-Octadecenoic acid, 9-hydroxy-, (11Z)-, LMFA02000309 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Hydroxy fatty acids, Other Octadecanoids |
| Deep Smiles | CCCCCC/C=CCCCCCCCCCC=O)O)))))))))O |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 261.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-9-hydroxyoctadec-11-enoic acid |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 5.7 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C18H34O3 |
| Inchi Key | KNMSLQJUPUXEQJ-FLIBITNWSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 15.0 |
| Synonyms | 9-hydroxy-cis-11-octadecenoic acid, 9-hydroxy-cis-11-octadecenoic acid (isomer of recinoleic acid) |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=CC, CC(=O)O, CO |
| Compound Name | 9-Hydroxy-cis-11-octadecenoic acid |
| Exact Mass | 298.251 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 298.251 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 298.5 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C18H34O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h8,11,17,19H,2-7,9-10,12-16H2,1H3,(H,20,21)/b11-8- |
| Smiles | CCCCCC/C=C\CC(CCCCCCCC(=O)O)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty Acids and Conjugates, Octadecanoids |
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