2,2,3,3-Tetramethylbutane
PubChem CID: 11675
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| Compound Synonyms | 2,2,3,3-TETRAMETHYLBUTANE, Hexamethylethane, 594-82-1, Ethane, hexamethyl-, Tetramethylbutane, Butane, 2,2,3,3-tetramethyl-, UNII-EB34RI15NY, EB34RI15NY, NSC 62039, EINECS 209-855-6, NSC-62039, 2,2,3,3-tetramethyl-butane, DTXSID9073204, (CH3)3CC(CH3)3, Ethane, hexamethyl, NSC62039, MFCD00008849, 2,3,3-Tetramethylbutane, Butane,2,3,3-tetramethyl-, Butane, 2,2,3,3tetramethyl, DTXCID4042624, AKOS015841161, 2,2,3,3-Tetramethylbutane, >=94%, Butane, 2,2,3,3-tetramethyl-(8CI), LS-13533, NS00034178, T0142, Butane, 2,2,3,3-tetramethyl-(8CI)(9CI), Q416165, 209-855-6 |
|---|---|
| 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))C)C |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Saturated hydrocarbons |
| Classyfire Subclass | Alkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 55.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,2,3,3-tetramethylbutane |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 3.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H18 |
| Inchi Key | OMMLUKLXGSRPHK-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 2,2,3,3-tetramethylbutane |
| Esol Class | Soluble |
| Compound Name | 2,2,3,3-Tetramethylbutane |
| 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 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C8H18/c1-7(2,3)8(4,5)6/h1-6H3 |
| Smiles | CC(C)(C)C(C)(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
FOUND_INto/from Asystasia Gangetica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643975