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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