(10E,12Z)-10,12-Octadecadienoic acid methyl ester
PubChem CID: 5471014
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| Compound Synonyms | 21870-97-3, methyl (10E,12Z)-octadeca-10,12-dienoate, (10E,12Z)-10,12-Octadecadienoic acid methyl ester, A64XK94MSS, T10,C12-cla methyl ester, methyl 10-trans,12-cis-octadecadienoate, (10E,12Z)-Methyl linoleate, Methyl linoleate, (10E,12Z)-, Methyl 10-trans-12-cis-linoleate, 10-trans-12-cis-octadecadienoic acid methyl ester, 10-trans,12-cis-Linoleic acid methyl ester, (10E,12Z)-MethylEster10,12-Octadecadienoate, 10-trans,12-cis-Octadecadienoic acid methyl ester, trans-10-cis-12-Octadecadienoic acid methyl ester, 10(E),12(Z)-Conjugated linoleic acid methyl ester, 10,12-Octadecadienoic acid, (10E,12Z)-, methyl ester, NSC707238, (10E,12Z)-Methyl Ester 10,12-Octadecadienoate, trans-10, methyl ester, UNII-A64XK94MSS, SCHEMBL5670193, CHEMBL2004275, Methyl10tr,12c-Octadecadienoate, DTXSID401021873, methyl-(e,z)-10,12-octadecadienoate, NSC-707238, METHYL-10tr,12c-OCTADECADIENOATE, PD077330, DB-220843, HY-116768, CS-0066483, Methyl (10e,12z)-10,12-octadecadienoate, trans-10,cis-12 Octadecadienoic acid methyl ester |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 279.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl (10E,12Z)-octadeca-10,12-dienoate |
| Prediction Hob | 1.0 |
| Xlogp | 7.2 |
| Molecular Formula | C19H34O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KMXSXYSNZMSDFK-UQGDGPGGSA-N |
| Fcsp3 | 0.7368421052631579 |
| Logs | -5.887 |
| Rotatable Bond Count | 15.0 |
| Logd | 4.316 |
| Compound Name | (10E,12Z)-10,12-Octadecadienoic acid methyl ester |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 294.256 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 294.256 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 294.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -5.092069799999999 |
| 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/h7-10H,3-6,11-18H2,1-2H3/b8-7-,10-9+ |
| Smiles | CCCCC/C=C\C=C\CCCCCCCCC(=O)OC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
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FOUND_INto/from Marsdenia Roylei (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Marsdenia Tenacissima (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
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FOUND_INto/from Marsdenia Tirunelvelica (Plant) Rel Props:Reference: