Oct-3-enoic acid
PubChem CID: 15307
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| Compound Synonyms | oct-3-enoic acid, oct-3-enoicacid, DTXSID0061799, IWPOSDLLFZKGOW-UHFFFAOYSA-N, D84200 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | IWPOSDLLFZKGOW-UHFFFAOYSA-N |
| Rotatable Bond Count | 5.0 |
| Synonyms | (3E)-3-octenoic acid, (E)-Oct-3-enoic acid, 3e-octenoic Acid, trans-3-octenoic acid |
| Heavy Atom Count | 10.0 |
| Compound Name | Oct-3-enoic acid |
| Description | 3-octenoic acid, also known as 3-octenoate, 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. 3-octenoic acid is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 3-octenoic acid is a fatty and oily tasting compound found in burdock, which makes 3-octenoic acid a potential biomarker for the consumption of this food product. |
| Exact Mass | 142.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 142.099 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 116.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 142.2 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | oct-3-enoic acid |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h5-6H,2-4,7H2,1H3,(H,9,10) |
| Smiles | CCCCC=CCC(=O)O |
| Xlogp | 2.3 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C8H14O2 |
- 1. Outgoing r'ship
FOUND_INto/from Arctium Lappa (Plant) Rel Props:Source_db:fooddb_chem_all