2,5-Dimethylhexane
PubChem CID: 11592
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| Compound Synonyms | 2,5-DIMETHYLHEXANE, 592-13-2, Biisobutyl, Hexane, 2,5-dimethyl-, Diisobutyl, 2,5-DIMETHYL HEXANE, PCS13D63P8, EINECS 209-745-8, NSC 74172, NSC-74172, UNII-PCS13D63P8, DTXSID4073201, NSC74172, Hexane,5-dimethyl-, MFCD00008951, 2,5-dimethyl-hexane, Hexane, 2,5dimethyl, 2,5-Dimethylhexane, 99%, DTXCID7042564, Hexane, 2,5-dimethyl-(8CI), AKOS015841746, Hexane, 2,5-dimethyl-(8CI)(9CI), AS-81291, DB-053340, D1226, NS00034107, D89815, Q2813798, 209-745-8 |
|---|---|
| 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 | CCCCCC)C))))C |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Saturated hydrocarbons |
| Classyfire Subclass | Alkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 36.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,5-dimethylhexane |
| Class | Saturated hydrocarbons |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 4.0 |
| Superclass | Hydrocarbons |
| Subclass | Alkanes |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H18 |
| Inchi Key | UWNADWZGEHDQAB-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | 2,5-dimethylhexane |
| Esol Class | Soluble |
| Compound Name | 2,5-Dimethylhexane |
| Kingdom | Organic compounds |
| Exact Mass | 114.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 114.141 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 114.23 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C8H18/c1-7(2)5-6-8(3)4/h7-8H,5-6H2,1-4H3 |
| Smiles | CC(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 Scorzonera Hispanica (Plant) Rel Props:Reference:ISBN:9788172363093