1,8,11,14-Heptadecatetraene
PubChem CID: 5319559
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| Compound Synonyms | 1,8,11,14-Heptadecatetraene, 71046-96-3, EINECS 275-155-2, (8E,11E,14E)-heptadeca-1,8,11,14-tetraene, HEPTADECA-1,8,11,14-TETRAENE, DTXSID4072235, DTXCID7046889 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Hydrocarbons |
| Deep Smiles | C=CCCCCC/C=C/C/C=C/C/C=C/CC |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Description | Aplotaxene, also known as heptadeca-1,8,11,14-tetraene, is a member of the class of compounds known as alkatetraenes. Alkatetraenes are acyclic hydrocarbons that contain exactly four carbon-to-carbon double bonds. Aplotaxene can be found in burdock, which makes aplotaxene a potential biomarker for the consumption of this food product. |
| Classyfire Subclass | Olefins |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 230.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (8E,11E,14E)-heptadeca-1,8,11,14-tetraene |
| Class | Unsaturated hydrocarbons |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 6.6 |
| Superclass | Hydrocarbons |
| Subclass | Olefins |
| Gsk 4 400 Rule | False |
| Molecular Formula | C17H28 |
| Inchi Key | JXRNMQDTJAQLAQ-LIFWOIOZSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 11.0 |
| Synonyms | 1,8,11,14-Heptadecatetraene, Heptadeca-1,8,11,14-tetraene, 1,8,11,14-heptadecatetraene, aplotaxene |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=C/C, C=CC |
| Compound Name | 1,8,11,14-Heptadecatetraene |
| Kingdom | Organic compounds |
| Exact Mass | 232.219 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 232.219 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 232.4 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C17H28/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,6,8,12,14-15,17H,1,4-5,7,9-11,13,16H2,2H3/b8-6+,14-12+,17-15+ |
| Smiles | CC/C=C/C/C=C/C/C=C/CCCCCC=C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 3.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Alkatetraenes |
| Np Classifier Superclass | Fatty acyls |
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