2,5-Dimethyltridecane
PubChem CID: 41838
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| Compound Synonyms | 2,5-DIMETHYLTRIDECANE, 56292-66-1, Tridecane, 2,5-dimethyl-, xi-2,5-Dimethyltridecane, DTXSID50971731, 2,5-dimethyl-tridecane, Tridecane, 2,5dimethyl, 2,5-Dimethyltridecane #, 2,5-DIMETHYL TRIDECANE, DTXCID801399230, DB-302484 |
|---|---|
| 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 | CCCCCCCCCCCCC)C))))C |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Saturated hydrocarbons |
| Description | Constituent of pickled mustard tuber (Brassica juncea). xi-2,5-Dimethyltridecane is found in brassicas. |
| Classyfire Subclass | Alkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 115.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,5-dimethyltridecane |
| Class | Saturated hydrocarbons |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 7.8 |
| Superclass | Hydrocarbons |
| Subclass | Alkanes |
| Gsk 4 400 Rule | False |
| Molecular Formula | C15H32 |
| Inchi Key | WHEITGBIIYGVLM-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 10.0 |
| Synonyms | 2,5-dimethyltridecane, 2-5-dimethyl-tridecane |
| Esol Class | Moderately soluble |
| Compound Name | 2,5-Dimethyltridecane |
| Kingdom | Organic compounds |
| Exact Mass | 212.25 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 212.25 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 212.41 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H32/c1-5-6-7-8-9-10-11-15(4)13-12-14(2)3/h14-15H,5-13H2,1-4H3 |
| Smiles | CCCCCCCCC(C)CCC(C)C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Branched alkanes |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279