trans-2-Icosenoic acid
PubChem CID: 6438157
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| Compound Synonyms | (E)-icos-2-enoic acid, trans-2-icosenoic acid, 26764-41-0, Eicosenoic acid, (E)-, 2-Eicosenoic Acid, (2E)-Eicosenoic acid, (E)-2-icosenoic acid, (E)-2-eicosenoic acid, (2E)-2-icosenoic acid, (2E)-2-eicosenoic acid, 2127095-72-9, (2E)-icos-2-enoic acid, (2E)-eicos-2-enoic acid, Delta2-trans Eicosenoic Acid, CHEMBL4282100, CHEBI:79014, Delta2-cis Eicosenoic Acid, 109264-21-3, trans-2-Eicosenoic acid, 2(E)-EICOSENOIC ACID, 2E-eicosenoic acid, trans-2-Icosenoate, SCHEMBL20072, Delta 2-trans Eicosenoic Acid, .DELTA.2-trans Eicosenoic Acid, HMS3650I09, BDBM50466178, HY-158570, HY-167554, CS-1068508, SR-01000946792, SR-01000946792-1, Q27148092, 979C98E9-AEB9-45C5-B42B-6F73A325B7B9 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Unsaturated fatty acids |
| Deep Smiles | CCCCCCCCCCCCCCCCC/C=C/C=O)O |
| Heavy Atom Count | 22.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 258.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O42275, P81908 |
| Iupac Name | (E)-icos-2-enoic acid |
| Prediction Hob | 0.0 |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 9.2 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C20H38O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FIKTURVKRGQNQD-VHEBQXMUSA-N |
| Silicos It Class | Poorly soluble |
| Fcsp3 | 0.85 |
| Logs | -5.926 |
| Rotatable Bond Count | 17.0 |
| Logd | 3.699 |
| Synonyms | eicosenoic, eicosenoic acid, eicosenoic-acid |
| Esol Class | Poorly soluble |
| Functional Groups | C/C=C/C(=O)O |
| Compound Name | trans-2-Icosenoic acid |
| 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 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Esol | -7.233086800000001 |
| Inchi | InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h18-19H,2-17H2,1H3,(H,21,22)/b19-18+ |
| Smiles | CCCCCCCCCCCCCCCCC/C=C/C(=O)O |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty Acids and Conjugates |
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