Octadecenoic Acid
PubChem CID: 5282750
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| Compound Synonyms | OCTADECENOIC ACID, (E)-octadec-2-enoic acid, trans-2-octadecenoic acid, trans-2-oleic acid, 2825-79-8, (E)-2-octadecenoic acid, 2-Octadecenoic acid, octadec-2-enoic acid, trans-octadec-2-enoic acid, 27251-59-8, CHEMBL4292703, 2Z-octadecenoic acid, C18:1n-16, trans-2-Octadecenoicacid, NSC931, Octadecenoic acid, (E)-, 2-Octadecensaeure, 2-octadecenic acid, Octadec-2-ensaeure, Octadec-2t-ensaeure, fatty acid 18:1, octadec-2t-enoic acid, starbld0007012, 2-trans-octadecenoic acid, SCHEMBL41749, (2E)-octadec-2-enoic acid, 18:1 (n-16), trans, C18:1 (n-16), trans, CHEBI:25634, CHEBI:50572, CHEBI:50573, DTXSID80865316, LKOVPWSSZFDYPG-WUKNDPDISA-N, DTXCID401774868, trans-Heptadecen-(1)-carbonsaeure, BDBM50466179, LMFA01030062, C18:1, n-16, G66943, Q27122121, Q27122122, 247-991-8 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 234.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O42275, P81908 |
| Iupac Name | (E)-octadec-2-enoic acid |
| Prediction Hob | 0.0 |
| Xlogp | 8.1 |
| Molecular Formula | C18H34O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LKOVPWSSZFDYPG-WUKNDPDISA-N |
| Fcsp3 | 0.8333333333333334 |
| Logs | -5.439 |
| Rotatable Bond Count | 15.0 |
| Logd | 3.484 |
| Compound Name | Octadecenoic Acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 282.256 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 282.256 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 282.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -6.510752 |
| Inchi | InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)/b17-16+ |
| Smiles | CCCCCCCCCCCCCCC/C=C/C(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
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