4,8-Dimethyltridecane
PubChem CID: 41306
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| Compound Synonyms | 4,8-DIMETHYLTRIDECANE, Tridecane, 4,8-dimethyl-, 55030-62-1, DTXSID60970391, 4,8-Dimethyltridecan, 4,8-Dimethyltridecane #, TRIDECANE, 4,8-DIMETHYL, DTXCID301397922, DB-327541 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 117.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,8-dimethyltridecane |
| Prediction Hob | 1.0 |
| Xlogp | 7.8 |
| Molecular Formula | C15H32 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IRMGDQSAWLAMIV-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -6.919 |
| Rotatable Bond Count | 10.0 |
| Logd | 5.786 |
| Compound Name | 4,8-Dimethyltridecane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 212.25 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 212.25 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 212.41 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.385810199999999 |
| Inchi | InChI=1S/C15H32/c1-5-7-8-11-15(4)13-9-12-14(3)10-6-2/h14-15H,5-13H2,1-4H3 |
| Smiles | CCCCCC(C)CCCC(C)CCC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Capillaris (Plant) Rel Props:Source_db:cmaup_ingredients