1-Iodononane
PubChem CID: 20275
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| Compound Synonyms | 1-Iodononane, 4282-42-2, Nonyl iodide, n-Nonyl iodide, Nonane, 1-iodo-, 1-n-Nonyl iodide, IODONONANE, 1-Iodononane (Stabilized with Copper), DTXSID6049301, NSC 5520, EINECS 224-286-3, V528UR3HZE, DTXCID8029157, NSC-5520, 1-Iodononane (stabilized with Copper chip), 1-iodo-n-nonane, 1-Nonyl Iodide, 1-n-Nonyl Iodide, NSC 5520, Nonyl Iodide, n-Nonyl Iodide, MFCD00001107, 1-Iodononane, 95%, UNII-V528UR3HZE, SCHEMBL873434, CHEMBL3184063, NSC5520, Nonyl iodide (stabilzed over Cu), 1-Iodononane (stabilized over Cu), EAA28242, Tox21_202833, BBL011365, STL146462, AKOS005720905, NCGC00260379-01, AS-56404, CAS-4282-42-2, CS-0179369, I0493, NS00031247, EN300-19869, D91171, 224-286-3, 6683-07-4 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Halogenated hydrocarbons |
| Deep Smiles | CCCCCCCCCI |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Organoiodides |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 52.7 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-iodononane |
| Veber Rule | True |
| Classyfire Superclass | Organohalogen compounds |
| Xlogp | 5.8 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C9H19I |
| Inchi Key | OGSJMFCWOUHXHN-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 7.0 |
| Synonyms | 1-iodo-nonane, 1-iodononane |
| Esol Class | Moderately soluble |
| Functional Groups | CI |
| Compound Name | 1-Iodononane |
| Exact Mass | 254.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 254.053 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 254.15 |
| 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/C9H19I/c1-2-3-4-5-6-7-8-9-10/h2-9H2,1H3 |
| Smiles | CCCCCCCCCI |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Cinnamomum Camphora (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1552205 - 2. Outgoing r'ship
FOUND_INto/from Jatropha Curcas (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.886965