Octadecatetraenoic acid
PubChem CID: 11778225
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| Compound Synonyms | Octadecatetraenoic acid, 25448-06-0, OCTADECA-2,4,6,8-TETRAENOIC ACID, SCHEMBL138337 |
|---|---|
| Ghose Rule | True |
| 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 | CCCCCCCCC/C=C/C=C/C=C/C=C/C=O)O |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Lineolic acids and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 335.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,4E,6E,8E)-octadeca-2,4,6,8-tetraenoic acid |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 6.8 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C18H28O2 |
| Inchi Key | LGHXTTIAZFVCCU-SSVNFBSYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 12.0 |
| Synonyms | octadecatetraenoic acid |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=C/C=C/C=C/C=C/C(=O)O |
| Compound Name | Octadecatetraenoic acid |
| Exact Mass | 276.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 276.209 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 276.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 4.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h10-17H,2-9H2,1H3,(H,19,20)/b11-10+,13-12+,15-14+,17-16+ |
| Smiles | CCCCCCCCC/C=C/C=C/C=C/C=C/C(=O)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 4.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty Acids and Conjugates |
- 1. Outgoing r'ship
FOUND_INto/from Agapanthus Africanus (Plant) Rel Props:Reference:ISBN:9788172362089