2,2,3,3-Tetramethylhexane
PubChem CID: 26057
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| Compound Synonyms | 2,2,3,3-TETRAMETHYLHEXANE, 13475-81-5, Hexane, 2,2,3,3-tetramethyl-, EINECS 236-756-5, J2LG2E3N3V, DTXSID00158934, UNII-J2LG2E3N3V, DTXCID5081425, AKOS006317425, NS00024356, Q5651138, 236-756-5 |
|---|---|
| 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))C)C |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Saturated hydrocarbons |
| Classyfire Subclass | Alkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 93.1 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,2,3,3-tetramethylhexane |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 4.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H22 |
| Inchi Key | RMQHJMMCLSJULX-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | 2,2,3,3-tetramethylhexane |
| Esol Class | Soluble |
| Compound Name | 2,2,3,3-Tetramethylhexane |
| Exact Mass | 142.172 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 142.172 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 142.28 |
| 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/C10H22/c1-7-8-10(5,6)9(2,3)4/h7-8H2,1-6H3 |
| Smiles | CCCC(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 Rhizophora Apiculata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.909748 - 2. Outgoing r'ship
FOUND_INto/from Rhizophora Mucronata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.909748