Methyl trans,trans-9,15-octadecadienoate
PubChem CID: 5362738
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| Compound Synonyms | Methyl trans,trans-9,15-octadecadienoate, 87WYY32N54, Methyl 9,15-linoleate, (9E,15E)-, Methyl trans-9,trans-15-octadecadienoate, UNII-87WYY32N54, 9,15-Octadecadienoic acid, methyl ester, (E,E)-, 38700-60-6, 9,15-Octadecadienoic acid, methyl ester, 56630-73-0, methyl (9E,15E)-octadeca-9,15-dienoate, 9,15-Octadecadienoic acid, methyl ester, (Z,Z)-, DTXSID50880894, OTROKOXHZSGHEN-PMXBNEBOSA-N, (9E,15E)-methyl 9,15-linoleate, NS00096205, Q27269847 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Wax monoesters |
| Deep Smiles | CC/C=C/CCCC/C=C/CCCCCCCC=O)OC |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Lineolic acids and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 279.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl (9E,15E)-octadeca-9,15-dienoate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 6.7 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C19H34O2 |
| Inchi Key | OTROKOXHZSGHEN-PMXBNEBOSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 15.0 |
| Synonyms | 9,15,octadecadienoic acid,methyl ester,(z,z)-, 9,15-octadecadienoic acid,methyl ester,(z,z)- |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=C/C, COC(C)=O |
| Compound Name | Methyl trans,trans-9,15-octadecadienoate |
| Exact Mass | 294.256 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 294.256 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 294.5 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,10-11H,3,6-9,12-18H2,1-2H3/b5-4+,11-10+ |
| Smiles | CC/C=C/CCCC/C=C/CCCCCCCC(=O)OC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 2.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty esters |
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