Dodecanoic acid, trimethylsilyl ester
PubChem CID: 521640
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| Compound Synonyms | Trimethylsilyl laurate, Dodecanoic acid, trimethylsilyl ester, trimethylsilyl dodecanoate, 55520-95-1, Dodecanoic acid, TMS derivative, Lauric acid (TMS), Dodecanoic acid, TMS ester, SCHEMBL2701285, Lauric acid, trimethylsilyl ester, CHEBI:180706, DTXSID101347119, DB-257219, Q63399260 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 209.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | trimethylsilyl dodecanoate |
| Prediction Hob | 0.0 |
| Molecular Formula | C15H32O2Si |
| Prediction Swissadme | 0.0 |
| Inchi Key | RHDZBWSXEZTMPK-UHFFFAOYSA-N |
| Fcsp3 | 0.9333333333333332 |
| Logs | -6.792 |
| Rotatable Bond Count | 12.0 |
| Logd | 4.738 |
| Compound Name | Dodecanoic acid, trimethylsilyl ester |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 272.217 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 272.217 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 272.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C15H32O2Si/c1-5-6-7-8-9-10-11-12-13-14-15(16)17-18(2,3)4/h5-14H2,1-4H3 |
| Smiles | CCCCCCCCCCCC(=O)O[Si](C)(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Polygonatum Odoratum (Plant) Rel Props:Source_db:cmaup_ingredients