5-Eicosene, (E)-
PubChem CID: 5364600
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | (E)-icos-5-ene, 5-Eicosene, (E)-, 21400-12-4, (5E)-5-Icosene, 5-Eicosene, [E]-5-Eicosene, (5E)-Icos-5-ene, 74685-30-6, DTXSID30880872, (e)-5-eicosene, 5-Didecene, Eicos-5-ene, DTXCID401022221, NS00076510 |
|---|---|
| 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 | CCCCCCCCCCCCCC/C=C/CCCC |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Classyfire Subclass | Unsaturated aliphatic hydrocarbons |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 180.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-icos-5-ene |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 10.1 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C20H40 |
| Inchi Key | QRJSGJWTKHSNMK-PKNBQFBNSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 16.0 |
| Synonyms | 5-eicosene, |
| Esol Class | Poorly soluble |
| Functional Groups | C/C=C/C |
| Compound Name | 5-Eicosene, (E)- |
| Exact Mass | 280.313 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 280.313 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 280.5 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C20H40/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h9,11H,3-8,10,12-20H2,1-2H3/b11-9+ |
| Smiles | CCCCCCCCCCCCCC/C=C/CCCC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Rosa Canina (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2019.1604167