3-Methylidene-4-oxopentyl angelate
PubChem CID: 157009897
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 3-Methylidene-4-oxopentyl angelate |
|---|---|
| Topological Polar Surface Area | 43.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | BYOAHAKIXHJNTC-YVMONPNESA-N |
| Rotatable Bond Count | 6.0 |
| Synonyms | 3-METHYLIDENE-4-OXPENTYL-ANGELATE |
| Heavy Atom Count | 14.0 |
| Compound Name | 3-Methylidene-4-oxopentyl angelate |
| Description | 3-methylidene-4-oxopentyl angelate is a member of the class of compounds known as fatty acid esters. Fatty acid esters are carboxylic ester derivatives of a fatty acid. 3-methylidene-4-oxopentyl angelate is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 3-methylidene-4-oxopentyl angelate can be found in roman camomile, which makes 3-methylidene-4-oxopentyl angelate a potential biomarker for the consumption of this food product. |
| Exact Mass | 196.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 196.11 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 274.0 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 196.24 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3-methylidene-4-oxopentyl) (Z)-2-methylbut-2-enoate |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C11H16O3/c1-5-8(2)11(13)14-7-6-9(3)10(4)12/h5H,3,6-7H2,1-2,4H3/b8-5- |
| Smiles | C/C=C(/C)\C(=O)OCCC(=C)C(=O)C |
| Xlogp | 1.9 |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C11H16O3 |
- 1. Outgoing r'ship
FOUND_INto/from Chamaemelum Nobile (Plant) Rel Props:Source_db:fooddb_chem_all