14-Methylhexadecanoic acid
PubChem CID: 22207
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| Compound Synonyms | 14-METHYLHEXADECANOIC ACID, 5918-29-6, 14-Methylpalmitic acid, Anteisoheptadecanoic acid, Anteisomargaric acid, (+)-14-methyl palmitic acid, 14-methyl-hexadecanoic acid, Hexadecanoic acid, 14-methyl-, SCHEMBL347119, CHEBI:84874, DTXSID60974612, LMFA01020011, MFCD00214328, PD078020, HY-121940, CS-0083720, Q27158141 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Branched fatty acids |
| Deep Smiles | CCCCCCCCCCCCCCCC=O)O))))))))))))))C |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Fatty acyls |
| Description | Occurs in several animal fats. (S)-14-Methylhexadecanoic acid is found in fats and oils. |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 201.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 14-methylhexadecanoic acid |
| Prediction Hob | 1.0 |
| Class | Fatty Acyls |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 6.6 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty acids and conjugates |
| Gsk 4 400 Rule | False |
| Molecular Formula | C17H34O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FXUKWLSZZHVEJD-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.9411764705882352 |
| Logs | -5.42 |
| Rotatable Bond Count | 14.0 |
| State | Solid |
| Logd | 3.669 |
| Synonyms | 14-Methylpalmitic acid, 14-Methylpalmitate, (S)-14-Methylhexadecanoate, 14-Methylhexadecanoic acid, (+-)-isomer, Anteisoheptadecanoate, 14-Methylhexadecanoic acid, 14-methylhexadecanoic acid, hexadecanoic acid, 14-methyl |
| Substituent Name | Long-chain fatty acid, Methyl-branched fatty acid, Branched fatty acid, Monocarboxylic acid or derivatives, Carboxylic acid, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aliphatic acyclic compound |
| Esol Class | Moderately soluble |
| Functional Groups | CC(=O)O |
| Compound Name | 14-Methylhexadecanoic acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 270.256 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 270.256 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 270.5 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -5.286333399999999 |
| Inchi | InChI=1S/C17H34O2/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19) |
| Smiles | CCC(C)CCCCCCCCCCCCC(=O)O |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Long-chain fatty acids |
| Np Classifier Superclass | Fatty Acids and Conjugates |
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