2,5-Dimethyldodecane
PubChem CID: 41837
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| Compound Synonyms | 2,5-DIMETHYLDODECANE, Dodecane, 2,5-dimethyl-, 56292-65-0, 2,5-dimethyl-dodecane, DTXSID80873299, Dodecane, 2,5dimethyl, 2,5-Dimethyldodecane #, DTXCID30820798, DB-326246 |
|---|---|
| Ghose Rule | True |
| 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 | CCCCCCCCCCCC)C))))C |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Saturated hydrocarbons |
| Classyfire Subclass | Alkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 105.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,5-dimethyldodecane |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 7.2 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C14H30 |
| Inchi Key | KDRXSZIYLPVVDY-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 9.0 |
| Synonyms | 2,5-dimethyldodecane |
| Esol Class | Moderately soluble |
| Compound Name | 2,5-Dimethyldodecane |
| Exact Mass | 198.235 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 198.235 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 198.39 |
| 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/C14H30/c1-5-6-7-8-9-10-14(4)12-11-13(2)3/h13-14H,5-12H2,1-4H3 |
| Smiles | CCCCCCCC(C)CCC(C)C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
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