2-(Methoxymethoxy)-2-phenylacetaldehyde
PubChem CID: 13662207
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| Compound Synonyms | trans-[6]-Shogaol, (methoxymethoxy)(phenyl)acetaldehyde, 2-(methoxymethoxy)-2-phenylacetaldehyde |
|---|---|
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | YHRYIGKHZVPXAD-UHFFFAOYSA-N |
| Rotatable Bond Count | 5.0 |
| Synonyms | (methoxymethoxy)(phenyl)acetaldehyde, trans-6-Shogaol |
| Heavy Atom Count | 13.0 |
| Compound Name | 2-(Methoxymethoxy)-2-phenylacetaldehyde |
| Description | Trans-[6]-shogaol is a member of the class of compounds known as phenylacetaldehydes. Phenylacetaldehydes are compounds containing a phenylacetaldehyde moiety, which consists of a phenyl group substituted at the second position by an acetalydehyde. Trans-[6]-shogaol is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). Trans-[6]-shogaol can be found in ginger, which makes trans-[6]-shogaol a potential biomarker for the consumption of this food product. |
| Exact Mass | 180.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 180.079 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 141.0 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 180.2 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(methoxymethoxy)-2-phenylacetaldehyde |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C10H12O3/c1-12-8-13-10(7-11)9-5-3-2-4-6-9/h2-7,10H,8H2,1H3 |
| Smiles | COCOC(C=O)C1=CC=CC=C1 |
| Xlogp | 1.3 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C10H12O3 |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:fooddb_chem_all