2,4-Dodecadienoic acid
PubChem CID: 25480
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| Compound Synonyms | 2,4-Dodecadienoic acid, HQSBWLQFLLMPKC-UHFFFAOYSA-N |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 14.0 |
| Description | Dodecadienoic acid, also known as dodecadienoate, is a member of the class of compounds known as medium-chain fatty acids. Medium-chain fatty acids are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. Dodecadienoic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Dodecadienoic acid can be found in common buckwheat and dandelion, which makes dodecadienoic acid a potential biomarker for the consumption of these food products. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 192.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | dodeca-2,4-dienoic acid |
| Nih Violation | False |
| Class | Fatty Acyls |
| Xlogp | 4.4 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Fatty acids and conjugates |
| Molecular Formula | C12H20O2 |
| Inchi Key | HQSBWLQFLLMPKC-UHFFFAOYSA-N |
| Rotatable Bond Count | 8.0 |
| Synonyms | 2,4-Dodecadienoate, Dodecadienoate |
| Compound Name | 2,4-Dodecadienoic acid |
| Kingdom | Organic compounds |
| Exact Mass | 196.146 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 196.146 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 196.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Inchi | InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h8-11H,2-7H2,1H3,(H,13,14) |
| Smiles | CCCCCCCC=CC=CC(=O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Medium-chain fatty acids |
- 1. Outgoing r'ship
FOUND_INto/from Fagopyrum Esculentum (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Taraxacum Officinale (Plant) Rel Props:Source_db:fooddb_chem_all