3,5-Dimethoxy-4-[(trimethylsilyl)oxy]benzaldehyde
PubChem CID: 614155
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| Compound Synonyms | Syringaldehyde, TMS derivative, Syringaldehyde, TMS, Syringic aldehyde, TMS, 3,5-Dimethoxy-4-[(trimethylsilyl)oxy]benzaldehyde, RYSJAQSTIILRKM-UHFFFAOYSA-N, EN300-45209700, 3,5-Dimethoxy-4-[(trimethylsilyl)oxy]benzaldehyde #, Benzaldehyde, 3,5-dimethoxy-4-[(trimethylsilyl)oxy]- |
|---|---|
| Topological Polar Surface Area | 44.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 237.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,5-dimethoxy-4-trimethylsilyloxybenzaldehyde |
| Prediction Hob | 1.0 |
| Molecular Formula | C12H18O4Si |
| Prediction Swissadme | 1.0 |
| Inchi Key | RYSJAQSTIILRKM-UHFFFAOYSA-N |
| Fcsp3 | 0.4166666666666667 |
| Logs | -5.231 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.111 |
| Compound Name | 3,5-Dimethoxy-4-[(trimethylsilyl)oxy]benzaldehyde |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 254.097 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 254.097 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 254.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C12H18O4Si/c1-14-10-6-9(8-13)7-11(15-2)12(10)16-17(3,4)5/h6-8H,1-5H3 |
| Smiles | COC1=CC(=CC(=C1O[Si](C)(C)C)OC)C=O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Carduus Crispus (Plant) Rel Props:Source_db:cmaup_ingredients