| Canonical Smiles | CC(C)C1N(CCO1)CCO |
|---|---|
| IUPAC Name | 2-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethanol |
| InChIKey | DZARITHRMKPIQB-UHFFFAOYSA-N |
| INCHI | 1S/C8H17NO2/c1-7(2)8-9(3-5-10)4-6-11-8/h7-8,10H,3-6H2,1-2H3 |
| Isomeric SMILES | CC(C)C1N(CCO1)CCO |
| PubChem CID | 120043 |
| Molecular Weight | 159.23 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azolidines |
| Subclass | Oxazolidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Oxazolidines |
| Alternative Parents | Hemiaminals Oxacyclic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Oxazolidine - Hemiaminal - Oxacycle - Azacycle - Alkanolamine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as oxazolidines. These are compounds containing an oxazolidine moiety, which consists of a saturated aliphatic five-member ring with one oxygen atom, one nitrogen, three carbon atoms, and two double bonds. |
| External Descriptors | Not available |
| Molecular Weight | 159.230 g/mol |
|---|---|
| XLogP3 | 0.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 159.126 Da |
| Monoisotopic Mass | 159.126 Da |
| Topological Polar Surface Area | 32.700 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 117.000 |
| 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 |
