2,6-Nonadienal
PubChem CID: 11196
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2,6-Nonadienal, Nona-2,6-dienal, 26370-28-5, 2,6-nonadien-1-al, EINECS 247-632-5, AI3-36011, DTXSID2047220, (E,E)-2,6-nonadien-1-al, CHEMBL4442941, DTXCID70813260, CHEBI:230320, HZYHMHHBBBSGHB-UHFFFAOYSA-N, NS00085306 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | HZYHMHHBBBSGHB-UHFFFAOYSA-N |
| Rotatable Bond Count | 5.0 |
| Heavy Atom Count | 10.0 |
| Compound Name | 2,6-Nonadienal |
| Description | Nona-trans-2-cis-6-dien-1-al, also known as 2,6-nonadienal, (e,z)-isomer or 2-trans-6-cis-nonadienal, is a member of the class of compounds known as medium-chain aldehydes. Medium-chain aldehydes are an aldehyde with a chain length containing between 6 and 12 carbon atoms. Nona-trans-2-cis-6-dien-1-al is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Nona-trans-2-cis-6-dien-1-al can be found in common wheat, cucumber, tea, and watermelon, which makes nona-trans-2-cis-6-dien-1-al a potential biomarker for the consumption of these food products. |
| Exact Mass | 138.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 138.104 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 123.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 138.21 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | nona-2,6-dienal |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Inchi | InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h3-4,7-9H,2,5-6H2,1H3 |
| Smiles | CCC=CCCC=CC=O |
| Xlogp | 2.2 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C9H14O |
- 1. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Citrullus Lanatus (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Cucumis Sativus (Plant) Rel Props:Source_db:fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Triticum Aestivum (Plant) Rel Props:Source_db:fooddb_chem_all