Hexadecanoic acid, 3-[(trimethylsilyl)oxy]propyl ester
PubChem CID: 545687
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| Compound Synonyms | Palmitic acid 3-[(trimethylsilyl)oxy]propyl ester, Hexadecanoic acid, 3-[(trimethylsilyl)oxy]propyl ester, 56630-48-9, BJPLAFKYEWJJLS-UHFFFAOYSA-N, 3-Hydroxypropyl palmitate, TMS derivative, 3-[(Trimethylsilyl)oxy]propyl palmitate #, DB-327146, 1-Palmitoyl-1,3-propanediol, trimethylsilyl |
|---|---|
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 313.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-trimethylsilyloxypropyl hexadecanoate |
| Prediction Hob | 0.0 |
| Molecular Formula | C22H46O3Si |
| Prediction Swissadme | 0.0 |
| Inchi Key | BJPLAFKYEWJJLS-UHFFFAOYSA-N |
| Fcsp3 | 0.9545454545454546 |
| Logs | -7.153 |
| Rotatable Bond Count | 20.0 |
| Logd | 5.077 |
| Compound Name | Hexadecanoic acid, 3-[(trimethylsilyl)oxy]propyl ester |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 386.322 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 386.322 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 386.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C22H46O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(23)24-20-18-21-25-26(2,3)4/h5-21H2,1-4H3 |
| Smiles | CCCCCCCCCCCCCCCC(=O)OCCCO[Si](C)(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nerium Antidysentericum (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Nerium Coronarium (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Nerium Indicum (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Nerium Odoratum (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Nerium Odorum (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Nerium Oleander (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Nerium Tomentosum (Plant) Rel Props:Reference: