2,2-Dimethylbutane
PubChem CID: 6403
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| Compound Synonyms | 2,2-DIMETHYLBUTANE, Neohexane, 75-83-2, Butane, 2,2-dimethyl-, HSDB 75, CCRIS 6019, EINECS 200-906-8, NSC 74126, UNII-07L56L3MP2, DTXSID4025111, 2,2-Dimethyl-butane, AI3-16043, 07L56L3MP2, NSC-74126, (CH3)3CCH2CH3, DIMETHYLBUTANE, 2,2-, DTXCID405111, 2,2-DIMETHYLBUTANE [HSDB], 2-dimethylbutane, 2,2dimethylbutane, 2-dimethyl-butane, 3,3-dimethylbutane, Butane,2-dimethyl-, MFCD00009321, 2, 2-Dimethylbutane, Butane, 2,2dimethyl, 2,2-Dimethylbutane, 99%, CHEMBL142735, NSC74126, Tox21_200358, WLN: 2X1&1&1, AKOS024438081, 2,2-Dimethylbutane, analytical standard, CAS-75-83-2, NCGC00091659-01, NCGC00091659-02, NCGC00257912-01, 2,2-Dimethylbutane, >=99.0% (GC), FD166931, DB-055991, D0689, NS00001089, D89700, Q209136, 3,3-Dimethylbutane, NSC 74126, Neohexane, tert-Butylethane, 200-906-8 |
|---|---|
| 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 | CCCC)C)C |
| Heavy Atom Count | 6.0 |
| Classyfire Class | Saturated hydrocarbons |
| Classyfire Subclass | Alkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 29.8 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,2-dimethylbutane |
| Class | Saturated hydrocarbons |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 3.0 |
| Superclass | Hydrocarbons |
| Subclass | Alkanes |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H14 |
| Inchi Key | HNRMPXKDFBEGFZ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 22-Dimethylbutane, 22-Dimethyl-butane, 2,2-dimethylbutane |
| Esol Class | Soluble |
| Compound Name | 2,2-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/c1-5-6(2,3)4/h5H2,1-4H3 |
| Smiles | CCC(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 Cinnamomum Camphora (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1552205