Tetradec-9-enal
PubChem CID: 62072
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| Compound Synonyms | Tetradec-9-enal, 60671-78-5, EINECS 262-365-4, 9Z-14CHO, DTXSID60860662, DB-253687, NS00087983, 262-365-4 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Description | 9-tetradecenal is a member of the class of compounds known as fatty aldehydes. Fatty aldehydes are long chain aldehydes with a chain of at least 12 carbon atoms. 9-tetradecenal is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 9-tetradecenal can be found in coriander, which makes 9-tetradecenal a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 149.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tetradec-9-enal |
| Prediction Hob | 1.0 |
| Class | Fatty Acyls |
| Xlogp | 5.0 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty aldehydes |
| Molecular Formula | C14H26O |
| Prediction Swissadme | 0.0 |
| Inchi Key | ANJAOCICJSRZSR-UHFFFAOYSA-N |
| Fcsp3 | 0.7857142857142857 |
| Rotatable Bond Count | 11.0 |
| Compound Name | Tetradec-9-enal |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 210.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 210.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 210.36 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -3.5934381999999996 |
| Inchi | InChI=1S/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h5-6,14H,2-4,7-13H2,1H3 |
| Smiles | CCCCC=CCCCCCCCC=O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Fatty aldehydes |
- 1. Outgoing r'ship
FOUND_INto/from Coriandrum Sativum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all