1,21-Docosadiene
PubChem CID: 104396
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 1,21-Docosadiene, Docosa-1,21-diene, 53057-53-7, EINECS 258-333-4, DTXSID90201120, NS00058214 |
|---|---|
| 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=CCCCCCCCCCCCCCCCCCCC=C |
| Heavy Atom Count | 22.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Classyfire Subclass | Olefins |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 192.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | docosa-1,21-diene |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 11.1 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C22H42 |
| Inchi Key | RBJABTJRYMHYOP-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 19.0 |
| Synonyms | 1,21-docosadiene |
| Esol Class | Poorly soluble |
| Functional Groups | C=CC |
| Compound Name | 1,21-Docosadiene |
| Exact Mass | 306.329 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 306.329 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 306.6 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C22H42/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3-4H,1-2,5-22H2 |
| Smiles | C=CCCCCCCCCCCCCCCCCCCC=C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Alhagi Maurorum (Plant) Rel Props:Reference:https://doi.org/10.1007/s10600-012-0417-8 - 2. Outgoing r'ship
FOUND_INto/from Rosa Gallica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2010.10643794