1-Trimethylsiloxy-3,7,11,15-tetramethyl-2-hexadecene
PubChem CID: 5372684
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| Compound Synonyms | Phytol, TMS derivative, 1-Trimethylsiloxy-3,7,11,15-tetramethyl-2-hexadecene, CKZQZHKPLHXPCT-PTGBLXJZSA-N, trimethyl-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]silane, Silane, [(3,7,11,15-tetramethyl-2-hexadecenyl)oxy]trimethyl-, (2E)-3,7,11,15-Tetramethyl-2-hexadecenyl trimethylsilyl ether # |
|---|---|
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 340.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | trimethyl-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]silane |
| Prediction Hob | 0.0 |
| Molecular Formula | C23H48OSi |
| Prediction Swissadme | 0.0 |
| Inchi Key | CKZQZHKPLHXPCT-PTGBLXJZSA-N |
| Fcsp3 | 0.9130434782608696 |
| Logs | -7.244 |
| Rotatable Bond Count | 15.0 |
| Logd | 7.141 |
| Compound Name | 1-Trimethylsiloxy-3,7,11,15-tetramethyl-2-hexadecene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 368.347 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 368.347 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 368.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C23H48OSi/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-17-23(5)18-19-24-25(6,7)8/h18,20-22H,9-17,19H2,1-8H3/b23-18+ |
| Smiles | CC(C)CCCC(C)CCCC(C)CCC/C(=C/CO[Si](C)(C)C)/C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 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