4-Ethyl-7,11-dimethyldodeca-trans-2-trans-6-1-o-trien-1-al
PubChem CID: 157009878
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 4-Ethyl-7,11-dimethyldodeca-trans-2-trans-6-1-o-trien-1-al |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | FKDMTOCPIDCTDG-UNRYZTPYSA-N |
| Rotatable Bond Count | 8.0 |
| Heavy Atom Count | 17.0 |
| Compound Name | 4-Ethyl-7,11-dimethyldodeca-trans-2-trans-6-1-o-trien-1-al |
| Description | 4-ethyl-7,11-dimethyldodeca-trans-2-trans-6-1-o-trien-1-al is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 4-ethyl-7,11-dimethyldodeca-trans-2-trans-6-1-o-trien-1-al can be found in tea, which makes 4-ethyl-7,11-dimethyldodeca-trans-2-trans-6-1-o-trien-1-al a potential biomarker for the consumption of this food product. |
| Exact Mass | 234.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 234.198 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 291.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 234.38 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,6E)-4-ethyl-7,11-dimethyldodeca-2,6,10-trienal |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 2.0 |
| Inchi | InChI=1S/C16H26O/c1-5-16(10-7-13-17)12-11-15(4)9-6-8-14(2)3/h7-8,10-11,13,16H,5-6,9,12H2,1-4H3/b10-7+,15-11+ |
| Smiles | CCC(C/C=C(\C)/CCC=C(C)C)/C=C/C=O |
| Xlogp | 5.1 |
| Defined Bond Stereocenter Count | 2.0 |
| Molecular Formula | C16H26O |
- 1. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all