2,2,4,4-Tetramethyloctane
PubChem CID: 182333
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| Compound Synonyms | 2,2,4,4-Tetramethyloctane, 62183-79-3, Octane, 2,2,4,4-tetramethyl-, 2,2,4,4-tetramethyl-octane, 2,2,4,4,-Tetramethyloctane, DTXSID70211227, AKOS006274095, NS00096350 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 114.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,2,4,4-tetramethyloctane |
| Prediction Hob | 1.0 |
| Xlogp | 5.8 |
| Molecular Formula | C12H26 |
| Prediction Swissadme | 0.0 |
| Inchi Key | TYUFTNSABIBNRY-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -6.376 |
| Rotatable Bond Count | 5.0 |
| Logd | 5.137 |
| Compound Name | 2,2,4,4-Tetramethyloctane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 170.203 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 170.203 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 170.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.245308 |
| Inchi | InChI=1S/C12H26/c1-7-8-9-12(5,6)10-11(2,3)4/h7-10H2,1-6H3 |
| Smiles | CCCCC(C)(C)CC(C)(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Michelia Alba (Plant) Rel Props:Source_db:cmaup_ingredients