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| Canonical Smiles | CCOC(C)CO |
|---|---|
| IUPAC Name | 2-ethoxypropan-1-ol |
| InChIKey | DEDUBNVYPMOFDR-UHFFFAOYSA-N |
| INCHI | 1S/C5H12O2/c1-3-7-5(2)4-6/h5-6H,3-4H2,1-2H3 |
| Isomeric SMILES | CCOC(C)CO |
| PubChem CID | 29420 |
| Molecular Weight | 104.15 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Ethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dialkyl ethers |
| Alternative Parents | Primary alcohols Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Dialkyl ether - Hydrocarbon derivative - Primary alcohol - Alcohol - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl groups. |
| External Descriptors | Not available |
| Molecular Weight | 104.150 g/mol |
|---|---|
| XLogP3 | 0.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 104.084 Da |
| Monoisotopic Mass | 104.084 Da |
| Topological Polar Surface Area | 29.500 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 37.100 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |