7-Dodecenal
PubChem CID: 3017459
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| Compound Synonyms | (Z)-7-Dodecen-1-al, 7-Dodecenal |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Description | 7-dodecenal 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. 7-dodecenal is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 7-dodecenal can be found in coriander, which makes 7-dodecenal a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 127.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | dodec-7-enal |
| Prediction Hob | 1.0 |
| Class | Organooxygen compounds |
| Xlogp | 4.0 |
| Superclass | Organic oxygen compounds |
| Subclass | Carbonyl compounds |
| Molecular Formula | C12H22O |
| Prediction Swissadme | 0.0 |
| Inchi Key | HTUHYXDEKCWDCI-UHFFFAOYSA-N |
| Fcsp3 | 0.75 |
| Rotatable Bond Count | 9.0 |
| Compound Name | 7-Dodecenal |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 182.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 182.167 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 182.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -2.8648033999999996 |
| Inchi | InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h5-6,12H,2-4,7-11H2,1H3 |
| Smiles | CCCCC=CCCCCCC=O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Medium-chain aldehydes |
- 1. Outgoing r'ship
FOUND_INto/from Coriandrum Sativum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all