9,12-Octadecadienoic acid (Z,Z)-, trimethylsilyl ester
PubChem CID: 5352430
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| Compound Synonyms | Linoleic acid trimethylsilyl ester, 9,12-Octadecadienoic acid (Z,Z)-, trimethylsilyl ester, tms-linoleate, Linoleic acid trimethylsilyl esterI, Linoleic acid, TMS, 56259-07-5, MXGBYOVWUYSJSN-UTJQPWESSA-N, DTXSID901347070, (Z,Z)-9,12-Octadecadienoic acid, TMS, Trimethylsilyl cis,cis-9,12-octadecadienoate, 9,12-Octadecadienoic acid (Z,Z)-, TMS derivative, Q63409807, cis-9,cis-12-Octadecadienoic acid, trimethylsilyl ester, 9,12-Octadecadienoic acid (9Z,12Z)-, trimethylsilyl ester |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 353.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | trimethylsilyl (9Z,12Z)-octadeca-9,12-dienoate |
| Prediction Hob | 0.0 |
| Molecular Formula | C21H40O2Si |
| Prediction Swissadme | 0.0 |
| Inchi Key | MXGBYOVWUYSJSN-UTJQPWESSA-N |
| Fcsp3 | 0.7619047619047619 |
| Logs | -3.745 |
| Rotatable Bond Count | 16.0 |
| Logd | 5.136 |
| Compound Name | 9,12-Octadecadienoic acid (Z,Z)-, trimethylsilyl ester |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 352.28 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 352.28 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 352.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Inchi | InChI=1S/C21H40O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-24(2,3)4/h9-10,12-13H,5-8,11,14-20H2,1-4H3/b10-9-,13-12- |
| Smiles | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[Si](C)(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Artemisia Apiacea (Plant) Rel Props:Source_db:cmaup_ingredients