9-Octylheptadecane
PubChem CID: 292286
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| Compound Synonyms | 9-Octylheptadecane, Heptadecane, 9-octyl-, 7225-64-1, NSC157985, heptadecane, 9-octyl, 9-Octylheptadecane #, DTXSID00992996, NSC-157985 |
|---|---|
| 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 | CCCCCCCCCCCCCCCCC))))))))CCCCCCCC |
| Heavy Atom Count | 25.0 |
| Classyfire Class | Saturated hydrocarbons |
| Classyfire Subclass | Alkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 182.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-octylheptadecane |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 13.5 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C25H52 |
| Inchi Key | ZLIOPNROBPMBFI-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 21.0 |
| Synonyms | 9-octyl-heptadecane, 9-octylheptadecane |
| Esol Class | Poorly soluble |
| Compound Name | 9-Octylheptadecane |
| Exact Mass | 352.407 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 352.407 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 352.7 |
| 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/C25H52/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h25H,4-24H2,1-3H3 |
| Smiles | CCCCCCCCC(CCCCCCCC)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 Alhagi Maurorum (Plant) Rel Props:Reference:https://doi.org/10.1007/s10600-012-0417-8 - 2. Outgoing r'ship
FOUND_INto/from Jatropha Curcas (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.886965