(Z)-1,3-Tridecadiene-5,7,9,11-tetrayne
PubChem CID: 5352699
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | (E)-1,3-Tridecadiene-5,7,9,11-tetrayne, (Z)-1,3-Tridecadiene-5,7,9,11-tetrayne, (3E)-trideca-1,3-dien-5,7,9,11-tetrayne, PXQLZFYDZKYLPY-FNORWQNLSA-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 |
| Deep Smiles | C=C/C=C/C#CC#CC#CC#CC |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Description | (z)-1,3-tridecadiene-5,7,9,11-tetrayne is a member of the class of compounds known as enynes. Enynes are hydrocarbons containing an alkene and an alkyne group (z)-1,3-tridecadiene-5,7,9,11-tetrayne can be found in fats and oils and herbs and spices, which makes (z)-1,3-tridecadiene-5,7,9,11-tetrayne a potential biomarker for the consumption of these food products. |
| Classyfire Subclass | Enynes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 460.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3E)-trideca-1,3-dien-5,7,9,11-tetrayne |
| Prediction Hob | 1.0 |
| Class | Unsaturated hydrocarbons |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 3.7 |
| Superclass | Hydrocarbons |
| Subclass | Enynes |
| Gsk 4 400 Rule | True |
| Molecular Formula | C13H8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PXQLZFYDZKYLPY-FNORWQNLSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.0769230769230769 |
| Logs | -4.955 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.827 |
| Synonyms | (z)-1,3-tridecadiene-5,7,9,11-tetrayne |
| Esol Class | Soluble |
| Functional Groups | C=C/C=C/C#CC#CC#CC#CC |
| Compound Name | (Z)-1,3-Tridecadiene-5,7,9,11-tetrayne |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 164.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 164.063 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 164.2 |
| 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 |
| Esol | -3.0978833999999997 |
| Inchi | InChI=1S/C13H8/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3,5,7H,1H2,2H3/b7-5+ |
| Smiles | CC#CC#CC#CC#C/C=C/C=C |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Enynes |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Carthamus Tinctorius (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Hibiscus Abelmoschus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all