3-Methylhexadecane
PubChem CID: 93030
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 3-Methylhexadecane, Hexadecane, 3-methyl-, 6418-43-5, DTXSID50880753, Hexadecane, 3methyl, DTXCID401022114, LMFA11000398, NS00096007 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 128.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methylhexadecane |
| Prediction Hob | 1.0 |
| Xlogp | 9.1 |
| Molecular Formula | C17H36 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WWPCLIMUTNKTDY-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -7.095 |
| Rotatable Bond Count | 13.0 |
| Logd | 5.036 |
| Compound Name | 3-Methylhexadecane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 240.282 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 240.282 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 240.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.224845 |
| Inchi | InChI=1S/C17H36/c1-4-6-7-8-9-10-11-12-13-14-15-16-17(3)5-2/h17H,4-16H2,1-3H3 |
| Smiles | CCCCCCCCCCCCCC(C)CC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients