2,3-Dimethylbutane
PubChem CID: 6589
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| Compound Synonyms | 2,3-DIMETHYLBUTANE, 79-29-8, Diisopropyl, Biisopropyl, Butane, 2,3-dimethyl-, 1,1,2,2-Tetramethylethane, HSDB 76, CCRIS 6020, EINECS 201-193-6, NSC 24837, UN2457, UNII-68ISQ7A432, (CH3)2CHCH(CH3)2, DTXSID9025112, 68ISQ7A432, NSC-24837, 23DMB, DIMETHYLBUTANE, 2,3-, DTXCID805112, CHEBI:141560, 2,3-DIMETHYLBUTANE [HSDB], UN 2457, MFCD00008925, diisopropyl-, Butane, 2,3-dimethyl-, 2,3-Dimethylbutane, 1,1,2,2-Tetramethylethane, Biisopropyl, Diisopropyl, NSC 24837, 2,3-dimethyl-butane, Butane, 2,3dimethyl, 1,1,2,2Tetramethylethane, 2,3-Dimethylbutane, 98%, CHEMBL1344453, WLN: 1Y1&Y1&1, NSC24837, Tox21_200674, AKOS009155334, 2,3-Dimethylbutane, analytical standard, CAS-79-29-8, NCGC00091767-01, NCGC00091767-02, NCGC00258228-01, D0690, NS00008608, Q209178, 2,3-Dimethylbutane [UN2457] [Flammable liquid], ASTM Method D5191 Vapor Pressure - 51.1kPa (7.41 psi), 201-193-6 |
|---|---|
| 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 | CCCC)C))C |
| Heavy Atom Count | 6.0 |
| Classyfire Class | Saturated hydrocarbons |
| Classyfire Subclass | Alkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 21.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3-dimethylbutane |
| Class | Saturated hydrocarbons |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 3.4 |
| Superclass | Hydrocarbons |
| Subclass | Alkanes |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H14 |
| Inchi Key | ZFFMLCVRJBZUDZ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 1,1,2,2-Tetramethylethane, 23DMB, Biisopropyl, Diisopropyl, 2,3-dimethyl butane, 2,3-dimethylbutane |
| Esol Class | Soluble |
| Compound Name | 2,3-Dimethylbutane |
| Kingdom | Organic compounds |
| Exact Mass | 86.1096 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 86.1096 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 86.18 |
| 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/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3 |
| Smiles | CC(C)C(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 Hibiscus Sabdariffa (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 2. Outgoing r'ship
FOUND_INto/from Scorzonera Hispanica (Plant) Rel Props:Reference:ISBN:9788172363093