5-(2-Methylpropyl)nonane
PubChem CID: 545936
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| Compound Synonyms | 5-(2-methylpropyl)nonane, 5-Isobutylnonane, 62185-53-9, 5-isobutyl-nonane, Nonane, 5-(2-methylpropyl)-, 5-Isobutylnonane #, 5-(2-methylpropyl) nonane, DTXSID30338020, DB-358561 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 86.2 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-(2-methylpropyl)nonane |
| Prediction Hob | 1.0 |
| Xlogp | 6.7 |
| Molecular Formula | C13H28 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RCOXMOQVMZTXOO-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -6.551 |
| Rotatable Bond Count | 8.0 |
| Logd | 5.672 |
| Compound Name | 5-(2-Methylpropyl)nonane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 184.219 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 184.219 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 184.36 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.663475399999999 |
| Inchi | InChI=1S/C13H28/c1-5-7-9-13(10-8-6-2)11-12(3)4/h12-13H,5-11H2,1-4H3 |
| Smiles | CCCCC(CCCC)CC(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients