n-Octatetracontane
PubChem CID: 138925
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| Compound Synonyms | Octatetracontane, 7098-26-2, n-Octatetracontane, DTXSID80221211, starbld0009519, DTXCID80143702, HAA09826, Octatetracontane, analytical standard, AKOS015902654, AS-56756, DB-361499, G78202, Q11291863 |
|---|---|
| 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 | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
| Heavy Atom Count | 48.0 |
| Classyfire Class | Saturated hydrocarbons |
| Classyfire Subclass | Alkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 462.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | octatetracontane |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 25.6 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C48H98 |
| Inchi Key | CFBPOLLJQOANPF-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 45.0 |
| Synonyms | octatetracontane |
| Esol Class | Insoluble |
| Compound Name | n-Octatetracontane |
| Exact Mass | 674.767 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 674.767 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 675.3 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C48H98/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-48H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
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