7-Hexyldocosane
PubChem CID: 291311
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 7-Hexyldocosane, Docosane, 7-hexyl-, 7-n-Hexyldocosane, 55373-86-9, 7-Hexyldocosane., 7-Hexyldocosane #, NSC156329, DTXSID00303063, SDYSFWMEHHOBQG-UHFFFAOYSA-N, NSC-156329 |
|---|---|
| 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 | CCCCCCCCCCCCCCCCCCCCCC))))))CCCCCC |
| Heavy Atom Count | 28.0 |
| Classyfire Class | Saturated hydrocarbons |
| Classyfire Subclass | Alkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 245.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hexyldocosane |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 15.1 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C28H58 |
| Inchi Key | SDYSFWMEHHOBQG-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 24.0 |
| Synonyms | 7-hexyl-docosane |
| Esol Class | Insoluble |
| Compound Name | 7-Hexyldocosane |
| Exact Mass | 394.454 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 394.454 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 394.8 |
| 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/C28H58/c1-4-7-10-13-14-15-16-17-18-19-20-21-24-27-28(25-22-11-8-5-2)26-23-12-9-6-3/h28H,4-27H2,1-3H3 |
| Smiles | CCCCCCCCCCCCCCCC(CCCCCC)CCCCCC |
| 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 Jatropha Curcas (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.886965