Trimethylsilyl (3Z,6Z,9Z)-3,6,9-octadecatrienoate
PubChem CID: 5366426
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| Compound Synonyms | Trimethylsilyl linolenate, .alpha.-Linolenic acid, TMS, Trimethylsilyl (3Z,6Z,9Z)-3,6,9-octadecatrienoate, Linolenic acid, TMS derivative, DCFAEXKJEMZTKR-QNEBEIHSSA-N, DTXSID901016360, .alpha.-Linolenic acid, TMS derivative, 97844-13-8, LINOLENIC ACID TRIMETHYLSILYL ESTER, .alpha.-Linolenic acid, trimethylsilyl ester, Q63392586, cis,cis,cis-9,12,15-Octadecatrienoic acid, 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 | 389.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | trimethylsilyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate |
| Prediction Hob | 0.0 |
| Molecular Formula | C21H38O2Si |
| Prediction Swissadme | 0.0 |
| Inchi Key | DCFAEXKJEMZTKR-QNEBEIHSSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -3.502 |
| Rotatable Bond Count | 15.0 |
| Logd | 4.922 |
| Compound Name | Trimethylsilyl (3Z,6Z,9Z)-3,6,9-octadecatrienoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 350.264 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 350.264 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 350.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Inchi | InChI=1S/C21H38O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-24(2,3)4/h6-7,9-10,12-13H,5,8,11,14-20H2,1-4H3/b7-6-,10-9-,13-12- |
| Smiles | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[Si](C)(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 3.0 |
- 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