5,14-Dibutyloctadecane
PubChem CID: 292293
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| Compound Synonyms | 5,14-Dibutyloctadecane, 55282-13-8, 5,14-Di-n-butyloctadecane, Octadecane, 5,14-dibutyl-, NSC157992, Octadecane,14-dibutyl-, 5,14-Dibutyloctadecane #, DTXSID60303362, NSC-157992, DB-325191 |
|---|---|
| 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 | CCCCCCCCC))))CCCCCCCCCCCCC))))CCCC |
| Heavy Atom Count | 26.0 |
| Classyfire Class | Saturated hydrocarbons |
| Classyfire Subclass | Alkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 202.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,14-dibutyloctadecane |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 13.7 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C26H54 |
| Inchi Key | VZZCEMBCJSFMMD-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 21.0 |
| Synonyms | 5,14-dibutyl-octadecane |
| Esol Class | Poorly soluble |
| Compound Name | 5,14-Dibutyloctadecane |
| 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 | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C26H54/c1-5-9-19-25(20-10-6-2)23-17-15-13-14-16-18-24-26(21-11-7-3)22-12-8-4/h25-26H,5-24H2,1-4H3 |
| Smiles | CCCCC(CCCC)CCCCCCCCC(CCCC)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 Jatropha Curcas (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.886965