Docosane, 9-butyl-
PubChem CID: 291309
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 9-Butyldocosane, Docosane, 9-butyl-, 9-n-Butyldocosane, 55282-14-9, DTXSID80303061, 9-Butyldocosane #, NSC156327, DTXCID70254194, NSC-156327 |
|---|---|
| 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))))))))CCCC |
| Heavy Atom Count | 26.0 |
| Classyfire Class | Saturated hydrocarbons |
| Classyfire Subclass | Alkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 232.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-butyldocosane |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 14.0 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C26H54 |
| Inchi Key | OIHDCDZZRDGEIB-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 22.0 |
| Synonyms | 9-butyl-docosane, 9-butyldocosane |
| Esol Class | Poorly soluble |
| Compound Name | Docosane, 9-butyl- |
| Exact Mass | 366.423 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 366.423 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 366.7 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C26H54/c1-4-7-10-12-14-15-16-17-18-20-22-25-26(23-9-6-3)24-21-19-13-11-8-5-2/h26H,4-25H2,1-3H3 |
| Smiles | CCCCCCCCCCCCCC(CCCC)CCCCCCCC |
| 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 - 2. Outgoing r'ship
FOUND_INto/from Rhizophora Apiculata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.909748 - 3. Outgoing r'ship
FOUND_INto/from Rhizophora Mucronata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.909748