1-Iodohexadecane
PubChem CID: 11007
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 1-IODOHEXADECANE, 544-77-4, Cetyl iodide, Hexadecyl iodide, Hexadecane, 1-iodo-, 1-iodo-hexadecane, 40474-98-4, JO95X48M8O, DTXSID0049317, EINECS 208-879-4, DTXCID9029273, Hexadecane, iodo-, 1-Iodohexadecane, Cetyl iodide, Hexadecyl iodide, UNII-JO95X48M8O, Cetyljodid, Hexadecane, 1iodo, n-Hexadecyl iodide, MFCD00001089, SCHEMBL562180, CHEMBL1233571, Tox21_202845, STL280435, AKOS006029121, NCGC00260391-01, CAS-544-77-4, CS-0179397, I0408, NS00033095, 1-Iodohexadecane contains copper as stabilizer, D91141, 1-Iodohexadecane, contains copper as stabilizer, 95%, Q27281601, 208-879-4 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 123.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-iodohexadecane |
| Prediction Hob | 1.0 |
| Xlogp | 9.6 |
| Molecular Formula | C16H33I |
| Prediction Swissadme | 0.0 |
| Inchi Key | KMWHQYDMBYABKL-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -7.146 |
| Rotatable Bond Count | 14.0 |
| Logd | 4.414 |
| Compound Name | 1-Iodohexadecane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 352.163 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 352.163 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 352.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.129632799999999 |
| Inchi | InChI=1S/C16H33I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCCI |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crinum Asiaticum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Elsholtzia Bodinieri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Gomphrena Globosa (Plant) Rel Props:Source_db:npass_chem_all