1-Iodooctadecane
PubChem CID: 12402
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| Compound Synonyms | 1-IODOOCTADECANE, 629-93-6, Octadecyl iodide, Stearyl iodide, Octadecane, 1-iodo-, n-Octadecyl iodide, NSC 5544, EINECS 211-117-3, K8J7D7A7XG, DTXSID7060881, NSC-5544, iodooctadecane, octadecyliodide, Octadecyljodid, Octadecane, 1iodo, MFCD00001090, 1-Iodooctadecane, 95%, UNII-K8J7D7A7XG, SCHEMBL226201, DTXCID2043583, NSC5544, AAA62993, AKOS015839785, AS-56768, CS-0179367, I0065, NS00035242, D91071, 211-117-3 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Hydrocarbons |
| Deep Smiles | CCCCCCCCCCCCCCCCCCI |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Organoiodides |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 145.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-iodooctadecane |
| Veber Rule | False |
| Classyfire Superclass | Organohalogen compounds |
| Xlogp | 10.7 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C18H37I |
| Inchi Key | ZNJOCVLVYVOUGB-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 16.0 |
| Synonyms | 1-iodo-octadecane, 1-iodooctadecane |
| Esol Class | Poorly soluble |
| Functional Groups | CI |
| Compound Name | 1-Iodooctadecane |
| Exact Mass | 380.194 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 380.194 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 380.4 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C18H37I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCCCCI |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Jatropha Curcas (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.886965