(3E,5E,11E)-trideca-1,3,5,11-tetraen-7,9-diyne
PubChem CID: 5352698
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| Compound Synonyms | 17091-00-8, (3E,5E,11E)-trideca-1,3,5,11-tetraen-7,9-diyne, 1,3,5,11-Tridecatriene-7,9-diyne, (E,E,E)-, (E,E,E)-1,3,5,11-Tridecatetraene-7,9-diyne, 1,3,5,11-Tridecatetraene-7,9-diyne, 1,3,5,11-Tridecatetraene-7,9-diyne isomer # 2, 3,6-Bis[trichloromethyl]pyridazine, 1,3(E),5(E),11(E)-Tridecatetraen-7,9-diyne, 5-[p-Chlorobenzylidenamino]-2,4-dichlorobenzoic acid, ASVIELUINMCNMW-FSNIPRKGSA-N, CHEBI:172101, DTXSID001257882, 1,3,5,11-Tridecatetraene-7,9-diyne, (E,E,E)-, 3E,5E,11E-Trideca-1,3,5,11-tetraene-7,9-diyne, 2,4-Dichloro-5-([(E)-(4-chlorophenyl)methylidene]amino)benzoic acid |
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| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Description | 3e,5e,11e-trideca-1,3,5,11-tetraene-7,9-diyne is a member of the class of compounds known as enynes. Enynes are hydrocarbons containing an alkene and an alkyne group. 3e,5e,11e-trideca-1,3,5,11-tetraene-7,9-diyne can be found in safflower, which makes 3e,5e,11e-trideca-1,3,5,11-tetraene-7,9-diyne a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 350.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3E,5E,11E)-trideca-1,3,5,11-tetraen-7,9-diyne |
| Nih Violation | True |
| Class | Unsaturated hydrocarbons |
| Xlogp | 4.2 |
| Superclass | Hydrocarbons |
| Is Pains | False |
| Subclass | Enynes |
| Molecular Formula | C13H12 |
| Inchi Key | ASVIELUINMCNMW-FSNIPRKGSA-N |
| Rotatable Bond Count | 3.0 |
| Compound Name | (3E,5E,11E)-trideca-1,3,5,11-tetraen-7,9-diyne |
| Kingdom | Organic compounds |
| Exact Mass | 168.094 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 168.094 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 168.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Inchi | InChI=1S/C13H12/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-7,9,11H,1H2,2H3/b6-4+,7-5+,11-9+ |
| Smiles | C/C=C/C#CC#C/C=C/C=C/C=C |
| Defined Bond Stereocenter Count | 3.0 |
| Taxonomy Direct Parent | Enynes |
- 1. Outgoing r'ship
FOUND_INto/from Carthamus Tinctorius (Plant) Rel Props:Source_db:fooddb_chem_all