9-Octadecenoic acid, ethyl ester
PubChem CID: 5364430
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| Compound Synonyms | 6114-18-7, Elaidic acid ethyl ester, 9-Octadecenoic acid, ethyl ester, Ethyl elaidate, ethyl (E)-octadec-9-enoate, ethyl (9E)-octadec-9-enoate, ethyl octadec-9-enoate, (E)-ethyl octadec-9-enoate, Ethyl 9-octadecenoate, Ethyl (9Z)-9-octadecenoate, FEMA 2450, 9-Octadecenoic acid, ethyl ester, (E)-, EINECS 228-082-5, (E)-9-Octadecenoic acid ethyl ester, starbld0002556, delta 9 trans-Octadecenoic acid ethyl ester, SCHEMBL2798, ETHYL-9-OCTADECENOATE, Ethyl (9E)-9-octadecenoate, SCHEMBL874561, QSPL 075, DTXSID00110052, CHEBI:180949, 6512-99-8, LMFA07010880, (E)-9-Octadeccenoic acid ethy ester, trans-9-Octadecenoic acid ethyl ester, AKOS015901517, (9E)-9-Octadecenoic Acid Ethyl Ester, LS-14830, NS00012446, D91817, EN300-21687478, Q63409543, 9-Octadecenoic acid, ethyl ester, (E)- (ZCI), Elaidic acid, ethyl ester (6CI, 7CI, 8CI), (E)-9-Octadecenoic acid ethyl ester, Ethyl E-octadec-9-enoate, Ethyl elaidate, Ethyl trans-9-octadecenoate |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Description | Flavouring ingredient Ethyl oleate is the ester formed by the condensation of the fatty acid oleic acid and ethanol. It is a colorless to light yellow liquid. Ethyl oleate is produced by the body during ethanol intoxication. Ethyl oleate is found in sweet marjoram and white mustard. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 258.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | ethyl (E)-octadec-9-enoate |
| Prediction Hob | 0.0 |
| Class | Fatty Acyls |
| Xlogp | 8.0 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty acid esters |
| Molecular Formula | C20H38O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LVGKNOAMLMIIKO-VAWYXSNFSA-N |
| Fcsp3 | 0.85 |
| Logs | -6.66 |
| Rotatable Bond Count | 17.0 |
| State | Liquid |
| Logd | 4.833 |
| Synonyms | (Z)-9-Octadecenoic acid ethyl ester, 9-Octadecenoic acid (Z)-, ethyl ester, Elaidic acid ethyl ester, Ethyl (9Z)-9-octadecenoate, Ethyl cis-9-octadecenoate, Ethyl oleate, Ethyl Z-9-octadecenoate, FEMA 2450, Oleic acid ethyl ester, Ethyl oleic acid |
| Compound Name | 9-Octadecenoic acid, ethyl ester |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 310.287 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 310.287 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 310.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -5.7021364 |
| Inchi | InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h11-12H,3-10,13-19H2,1-2H3/b12-11+ |
| Smiles | CCCCCCCC/C=C/CCCCCCCC(=O)OCC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Fatty acid esters |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Argyi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Artemisia Montana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Artemisia Princeps (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Cynomorium Songaricum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Melia Azedarach (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Myristica Fragrans (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Origanum Majorana (Plant) Rel Props:Source_db:fooddb_chem_all - 8. Outgoing r'ship
FOUND_INto/from Periploca Sepium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Pinellia Ternata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Polygala Sibirica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Polygala Tenuifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Portulaca Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Terminalia Chebula (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all