4,5-Dimethylnonane
PubChem CID: 86541
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| Compound Synonyms | 4,5-Dimethylnonane, Nonane, 4,5-dimethyl-, 17302-23-7, Dimethylnonane, 2,6-, 5,6-Dimethyl-nonane, DTXSID00938273, 4,5-dimethyl-nonane, Dimethylnonane,2,6-, NONANE, 4,5-DIMETHYL, CHEBI:229337, DTXCID901366812 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 76.1 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,5-dimethylnonane |
| Prediction Hob | 1.0 |
| Xlogp | 5.6 |
| Molecular Formula | C11H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JDNGDDOTBYZAGS-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -5.799 |
| Rotatable Bond Count | 6.0 |
| Logd | 5.246 |
| Compound Name | 4,5-Dimethylnonane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 156.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 156.188 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 156.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.941140599999999 |
| Inchi | InChI=1S/C11H24/c1-5-7-9-11(4)10(3)8-6-2/h10-11H,5-9H2,1-4H3 |
| Smiles | CCCCC(C)C(C)CCC |
| 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