Ethyl Linoleate
PubChem CID: 5282184
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| Compound Synonyms | ETHYL LINOLEATE, 544-35-4, Linoleic acid ethyl ester, Mandenol, ethyl (9Z,12Z)-octadeca-9,12-dienoate, Ethyl linolate, Linoleic acid, ethyl ester, Ethyl cis,cis-9,12-octadecadienoate, Ethyl linoleate, pure, Ethyl linoleate [JAN], UNII-MJ2YTT4J8M, MJ2YTT4J8M, 9,12-Octadecadienoic acid (9Z,12Z)-, ethyl ester, Ethyl (Z,Z)-9,12-Octadecadienoate, NSC-50447, 9,12-Octadecadienoic acid ethyl ester, 9,12-Octadecadienoic acid (Z,Z)-, ethyl ester, CHEBI:31572, EINECS 208-868-4, MFCD00009535, NSC 50447, EC 208-868-4, ethyl (9Z,12Z)-octadecadienoate, (9Z,12Z)-Ethyl octadeca-9,12-dienoate, Ethyl linoleate (JAN), ETHYL LINOLEATE (USP-RS), ETHYL LINOLEATE [USP-RS], EthylLinoleate, Ethyl Linoleate, (9Z,12Z)-Octadeca-9,12-dienoic Acid Ethyl Ester, ethyl linoleate-9,10,12,13-d4, Ethyl linoleate, 50%, Ethyl linoleate, 70%, 9,Z)-, ethyl ester, Ethyl linoleate (Standard), Ethyl linoleate, >=99%, SCHEMBL81540, ETHYL LINOLEATE [MI], Ethyl cis,12-octadecadienoate, QSPL 206, CHEMBL2106238, DTXSID1060269, ETHYL LINOLEATE [WHO-DD], HMS3650O09, HY-W013812R, NSC50447, Ethyl linoleate, analytical standard, AKOS015843230, CS-W014528, HY-W013812, 9,12,Octadececadienoic acid, ethyl ester, AC-33781, AS-63462, Ethyl linoleate, technical, >=65% (GC), DB-003652, Ethyl (9Z,12Z)-9,12-octadecadienoate #, L0055, L0135, NS00003902, NS00100221, cis-9,cis-12-Octadecadienoic acid ethyl ester, D01590, D91254, SR-01000946817, SR-01000946817-1, Q27104200, Ethyl linoleate, United States Pharmacopeia (USP) Reference Standard, 208-868-4 |
|---|---|
| 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 | CCCCC/C=CC/C=CCCCCCCCC=O)OCC |
| Heavy Atom Count | 22.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Lineolic acids and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 292.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q16236, Q03181, P04792 |
| Iupac Name | ethyl (9Z,12Z)-octadeca-9,12-dienoate |
| Prediction Hob | 1.0 |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 7.3 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C20H36O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FMMOOAYVCKXGMF-MURFETPASA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.75 |
| Logs | -3.68 |
| Rotatable Bond Count | 16.0 |
| Logd | 4.609 |
| Synonyms | ethyl linoleate, ethyl linolate, ethyl linoleate, ethyl linoleate b, linoleic acid ethyl ester |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=CC, COC(C)=O |
| Compound Name | Ethyl Linoleate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 308.272 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 308.272 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 308.5 |
| 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 |
| Esol | -5.3209371999999995 |
| Inchi | InChI=1S/C20H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h8-9,11-12H,3-7,10,13-19H2,1-2H3/b9-8-,12-11- |
| Smiles | CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 2.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty esters |
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FOUND_INto/from Abelmoschus Esculentus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1999.9701211 - 2. Outgoing r'ship
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FOUND_INto/from Achillea Nana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Acinos Alpinus (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199901/02)14:1<55::aid-ffj784>3.0.co;2-q - 5. Outgoing r'ship
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FOUND_INto/from Melia Azedarach (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 73. Outgoing r'ship
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