Methyl linolelaidate
PubChem CID: 5362793
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Methyl linolelaidate, 2566-97-4, Methyl trans,trans-9,12-octadecadienoate, Methyl (9E,12E)-octadeca-9,12-dienoate, (9E,12E)-Methyl octadeca-9,12-dienoate, 2462-85-3, Linolelaidic acid, methyl ester, Methyl octadeca-9,12-dienoate, Linoelaidic acid methyl ester, Linolelaidic acid-methyl ester, 9,12-Octadecadienoic acid, methyl ester, (9E,12E)-, JRB7ACQ5NW, MFCD00069997, (9E,12E)-9,12-Octadecadienoic acid methyl ester, 9,12-Octadecadienoic acid, methyl ester, (E,E)-, Linolelaidic acid methyl ester, 9,12-Octadecadienoicacid, methyl ester, trans-Methyl linolelaidate, 11068-03-4, UNII-JRB7ACQ5NW, UNII-11J6A3P924, 9,12-Octadecadienoic acid, methyl ester, EINECS 219-560-4, EINECS 219-901-7, methyl (9E,12Z)-octadeca-9,12-dienoate, AI3-36451, 9,12-OCTADECADIENOIC ACID (Z,Z)-, METHYL ESTER, HYDROPEROXIDE, SCHEMBL813264, SCHEMBL813266, QSPL 074, SCHEMBL17191668, DTXSID90880893, MSK1850, CHEBI:143581, CAA56697, TRANS,TRANS-METHYL LINOLEATE, 9,12-Octadecadienoic acid (9Z,12Z)-, methyl ester, hydroperoxide, STL477115, METHYL-9,12-OCTADECADIENOATE, AKOS015902997, 11J6A3P924, 1ST1850, HY-W053516, Methyl (E, E)-9,12-octadecadienoate, Methyl trans, trans-9,12-octadienoate, Methyl linolelaidate, analytical standard, METHYL (9E,12E)-OCTADECADIENOATE, Methyl 9-trans-12-trans-octadecadienoate, (9E,12E)-Methyloctadeca-9,12-dienoate, Methyl (9E,12E)-9,12-octadecadienoate, DB-257880, CS-0046123, M2307, Methyl (9E,12E)-9,12-octadecadienoate #, Methyl linolelaidate, >=99% (GC), liquid, NS00076545, T72179, trans-9,12-Octadecadienoic acid, methyl ester, 9,2-Octadecadienoic acid, methyl ester, (E,E)-, A902172, METHYL OCTADECA-TRANS-9-TRANS-12-DIENOATE, trans,trans-9,12-Octadecadienoic Acid Methyl Ester, trans,trans-octadeca-9,12-dienoic acid methyl ester, Q27281652, TRANS-9,TRANS-12-OCTADECADIENOIC ACID METHYL ESTER, trans-9,12-Octadecadienoic acid methyl ester 10 mg/mL in heptane |
|---|---|
| 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;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl (9E,12E)-octadeca-9,12-dienoate |
| Prediction Hob | 1.0 |
| Xlogp | 6.9 |
| Molecular Formula | C19H34O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WTTJVINHCBCLGX-ZDVGBALWSA-N |
| Fcsp3 | 0.7368421052631579 |
| Logs | -5.954 |
| Rotatable Bond Count | 15.0 |
| Logd | 4.767 |
| Compound Name | Methyl linolelaidate |
| 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 | -4.9723698 |
| 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/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7+,11-10+ |
| Smiles | CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Agrimonia Pilosa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Akebia Quinata (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Akebia Trifoliata (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Andrographis Paniculata (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Arnebia Euchroma (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Arnebia Guttata (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Bupleurum Chinense (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Bupleurum Falcatum (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Bupleurum Scorzonerifolium (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Citrus Maxima (Plant) Rel Props:Source_db:cmaup_ingredients - 14. Outgoing r'ship
FOUND_INto/from Cnidium Officinale (Plant) Rel Props:Source_db:cmaup_ingredients - 15. Outgoing r'ship
FOUND_INto/from Cynomorium Songaricum (Plant) Rel Props:Source_db:cmaup_ingredients - 16. Outgoing r'ship
FOUND_INto/from Euphorbia Hirta (Plant) Rel Props:Source_db:cmaup_ingredients - 17. Outgoing r'ship
FOUND_INto/from Ficus Carica (Plant) Rel Props:Source_db:cmaup_ingredients - 18. Outgoing r'ship
FOUND_INto/from Houttuynia Cordata (Plant) Rel Props:Source_db:cmaup_ingredients - 19. Outgoing r'ship
FOUND_INto/from Leonurus Japonicus (Plant) Rel Props:Source_db:cmaup_ingredients - 20. Outgoing r'ship
FOUND_INto/from Ligusticum Sinense (Plant) Rel Props:Source_db:cmaup_ingredients - 21. Outgoing r'ship
FOUND_INto/from Linum Usitatissimum (Plant) Rel Props:Source_db:cmaup_ingredients - 22. Outgoing r'ship
FOUND_INto/from Lithospermum Erythrorhizon (Plant) Rel Props:Source_db:cmaup_ingredients - 23. Outgoing r'ship
FOUND_INto/from Lonicera Japonica (Plant) Rel Props:Source_db:cmaup_ingredients - 24. Outgoing r'ship
FOUND_INto/from Murraya Exotica (Plant) Rel Props:Source_db:cmaup_ingredients - 25. Outgoing r'ship
FOUND_INto/from Murraya Paniculata (Plant) Rel Props:Source_db:cmaup_ingredients - 26. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients - 27. Outgoing r'ship
FOUND_INto/from Polygala Sibirica (Plant) Rel Props:Source_db:cmaup_ingredients - 28. Outgoing r'ship
FOUND_INto/from Polygala Tenuifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 29. Outgoing r'ship
FOUND_INto/from Saussurea Costus (Plant) Rel Props:Source_db:cmaup_ingredients