5-Ethyldecane
PubChem CID: 529848
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| Compound Synonyms | 5-Ethyldecane, Decane, 5-ethyl, 5-ethyl-decane, DTXSID301025715, 17302-36-2 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 76.1 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-ethyldecane |
| Prediction Hob | 1.0 |
| Xlogp | 6.4 |
| Molecular Formula | C12H26 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BCQLAHKMMOGIIS-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -5.866 |
| Rotatable Bond Count | 8.0 |
| Logd | 5.066 |
| Compound Name | 5-Ethyldecane |
| 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 | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.419008 |
| Inchi | InChI=1S/C12H26/c1-4-7-9-11-12(6-3)10-8-5-2/h12H,4-11H2,1-3H3 |
| Smiles | CCCCCC(CC)CCCC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lycium Barbarum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Lycium Chinense (Plant) Rel Props:Source_db:cmaup_ingredients