7,9-Dimethylhexadecane
PubChem CID: 545945
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 7,9-Dimethylhexadecane, Hexadecane, 7,9-dimethyl-, 21164-95-4, HEXADECANE,7,9-DIMETHYL- |
|---|---|
| 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 | CCCCCCCCCCCCCCCC))))))C)))C |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Saturated hydrocarbons |
| Classyfire Subclass | Alkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 150.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7,9-dimethylhexadecane |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 9.4 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C18H38 |
| Inchi Key | PKDYKLUCVOPIKK-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 13.0 |
| Synonyms | 7,9-dimethyl- hexadecane, 7,9-dimethyl-hexadecane |
| Esol Class | Poorly soluble |
| Compound Name | 7,9-Dimethylhexadecane |
| Exact Mass | 254.297 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 254.297 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 254.5 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C18H38/c1-5-7-9-11-13-15-18(4)16-17(3)14-12-10-8-6-2/h17-18H,5-16H2,1-4H3 |
| Smiles | CCCCCCCC(C)CC(C)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