5-Methylpentacosane
PubChem CID: 526121
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 5-Methylpentacosane, 5-Methyl-N-pentacosane, Pentacosane, 5-methyl-, CJT78O5IV9, UNII-CJT78O5IV9, 22331-49-3, DTXSID20895071, Pentacosane, 5-methyl, DTXCID201324623, LMFA11000462 |
|---|---|
| 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 | CCCCCCCCCCCCCCCCCCCCCCCCC))))C |
| 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 | 5-methylpentacosane |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 14.0 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C26H54 |
| Inchi Key | YEIGKGQALVCSKG-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 22.0 |
| Synonyms | 5-methylpentacosane |
| Esol Class | Poorly soluble |
| Compound Name | 5-Methylpentacosane |
| 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/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-26(3)24-7-5-2/h26H,4-25H2,1-3H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCC(C)CCCC |
| 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 Ocimum Basilicum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1197801