| Canonical Smiles | C1COCC=C1I |
|---|---|
| IUPAC Name | 4-iodo-3,6-dihydro-2H-pyran |
| InChIKey | KNZSUJFOLGDAQV-UHFFFAOYSA-N |
| INCHI | 1S/C5H7IO/c6-5-1-3-7-4-2-5/h1H,2-4H2 |
| Molecular Weight | 210.010 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyrans |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrans |
| Alternative Parents | Vinyl iodides Oxacyclic compounds Iodoalkenes Dialkyl ethers Organoiodides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Pyran - Oxacycle - Iodoalkene - Haloalkene - Vinyl iodide - Vinyl halide - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organoiodide - Organohalogen compound - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrans. These are compounds containing a pyran ring, which is a six-member heterocyclic, non-aromatic ring with five carbon atoms, one oxygen atom and two ring double bonds. |
| External Descriptors | Not available |
| Molecular Weight | 210.010 g/mol |
|---|---|
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 209.954 Da |
| Monoisotopic Mass | 209.954 Da |
| Topological Polar Surface Area | 9.200 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 88.100 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
