Hexadecanoic acid, trimethylsilyl ester
PubChem CID: 521638
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| Compound Synonyms | Hexadecanoic acid, trimethylsilyl ester, 55520-89-3, Palmitic acid, trimethylsilyl ester, trimethylsilyl hexadecanoate, Trimethylsilyl palmitate, Palmitic acid, TMS, palmitic acid tms ester, Hexadecanoic acid, TMS, Trimethylsilyl palmitate #, Hexadecanoic acid, TMS ester, Palmitic Acid, TMS derivative, SCHEMBL11085626, DTXSID10334702, Palmitic acid trimethylsilyl ester, DB-327148, Q63408679 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 259.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | trimethylsilyl hexadecanoate |
| Prediction Hob | 0.0 |
| Molecular Formula | C19H40O2Si |
| Prediction Swissadme | 0.0 |
| Inchi Key | HKNNSWCACQFVIK-UHFFFAOYSA-N |
| Fcsp3 | 0.9473684210526316 |
| Logs | -7.148 |
| Rotatable Bond Count | 16.0 |
| Logd | 4.95 |
| Compound Name | Hexadecanoic acid, trimethylsilyl ester |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 328.28 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 328.28 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 328.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C19H40O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-22(2,3)4/h5-18H2,1-4H3 |
| Smiles | CCCCCCCCCCCCCCCC(=O)O[Si](C)(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Artemisia Apiacea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Polygonatum Odoratum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all