| Canonical Smiles | CC1(OCC(O1)C=O)C |
|---|---|
| IUPAC Name | 2,2-dimethyl-1,3-dioxolane-4-carbaldehyde |
| InChIKey | YSGPYVWACGYQDJ-UHFFFAOYSA-N |
| INCHI | 1S/C6H10O3/c1-6(2)8-4-5(3-7)9-6/h3,5H,4H2,1-2H3 |
| Isomeric SMILES | CC1(OCC(O1)C=O)C |
| PubChem CID | 110702 |
| Molecular Weight | 130.139 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Ethers |
| Intermediate Tree Nodes | Acetals |
| Direct Parent | Ketals |
| Alternative Parents | 1,3-dioxolanes Oxacyclic compounds Organic oxides Hydrocarbon derivatives Aldehydes |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Ketal - Meta-dioxolane - Oxacycle - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aldehyde - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals. |
| External Descriptors | Not available |
| Molecular Weight | 130.139 g/mol |
|---|---|
| XLogP3 | 0.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 130.063 Da |
| Monoisotopic Mass | 130.063 Da |
| Topological Polar Surface Area | 35.500 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 119.000 |
| 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 |
