1,11-Tridecadiene
PubChem CID: 5363398
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| Compound Synonyms | 1,11-Tridecadiene, (11E)-1,11-Tridecadiene, (11E)-1,11-Tridecadiene #, NJHSLELGHIYEBI-GQCTYLIASA-N |
|---|---|
| Ghose Rule | True |
| 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=CCCCCCCCC/C=C/C |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Description | 1,11-tridecadiene is a member of the class of compounds known as alkadienes. Alkadienes are acyclic hydrocarbons that contain exactly two carbon-to-carbon double bonds. 1,11-tridecadiene can be found in burdock, which makes 1,11-tridecadiene a potential biomarker for the consumption of this food product. |
| Classyfire Subclass | Olefins |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 122.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (11E)-trideca-1,11-diene |
| Class | Unsaturated hydrocarbons |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 5.9 |
| Superclass | Hydrocarbons |
| Subclass | Olefins |
| Gsk 4 400 Rule | False |
| Molecular Formula | C13H24 |
| Inchi Key | NJHSLELGHIYEBI-GQCTYLIASA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 9.0 |
| Synonyms | (11E)-1,11-Tridecadiene, tridecadiene-2,12, 1,11-tridecadiene |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=C/C, C=CC |
| Compound Name | 1,11-Tridecadiene |
| Kingdom | Organic compounds |
| Exact Mass | 180.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 180.188 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 180.33 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C13H24/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-4,6H,1,5,7-13H2,2H3/b6-4+ |
| Smiles | C/C=C/CCCCCCCCC=C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Alkadienes |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Arctium Lappa (Plant) Rel Props:Source_db:fooddb_chem_all