9-Dimethylhexacosane
PubChem CID: 90817236
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| Compound Synonyms | 9-dimethylhexacosane |
|---|---|
| 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 | CCCCCCCCCCCCCCCCCCCCCCCCCC))))))))C)C |
| Heavy Atom Count | 28.0 |
| Classyfire Class | Saturated hydrocarbons |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 278.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9,9-dimethylhexacosane |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 14.9 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C28H58 |
| Inchi Key | XTLPRIJFTXLERV-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 23.0 |
| Synonyms | 9,9-dimethyl hexacosane, 9,9-dimethylhexacosane |
| Esol Class | Insoluble |
| Compound Name | 9-Dimethylhexacosane |
| 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/c1-5-7-9-11-13-14-15-16-17-18-19-20-21-23-25-27-28(3,4)26-24-22-12-10-8-6-2/h5-27H2,1-4H3 |
| Smiles | CCCCCCCCCCCCCCCCCC(C)(C)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 Oldenlandia Herbacea (Plant) Rel Props:Reference:ISBN:9770972795006