| Sonrisas canónicas | CC1(COC(OC1)CCCCC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3)C |
|---|---|
| IUPAC Name | 5-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(3-phenoxyphenyl)pentan-1-one |
| InChIKey | RCGQVEUATNIMNG-UHFFFAOYSA-N |
| INCHI | 1S/C23H28O4/c1-23(2)16-25-22(26-17-23)14-7-6-13-21(24)18-9-8-12-20(15-18)27-19-10-4-3-5-11-19/h3-5,8-12,15,22H,6-7,13-14,16-17H2,1-2H3 |
| Isómeros SMILES | CC1(COC(OC1)CCCCC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3)C |
| PubChem CID | 24727990 |
| Peso molecular | 368.473 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Diphenylethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diphenylethers |
| Alternative Parents | Alkyl-phenylketones Diarylethers Butyrophenones Phenoxy compounds Phenol ethers Benzoyl derivatives Aryl alkyl ketones 1,3-dioxanes Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives Aldehydes |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Diphenylether - Alkyl-phenylketone - Butyrophenone - Diaryl ether - Phenylketone - Phenoxy compound - Benzoyl - Aryl alkyl ketone - Aryl ketone - Phenol ether - Meta-dioxane - Ketone - Oxacycle - Acetal - Ether - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aldehyde - Organooxygen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group. |
| External Descriptors | Not available |
| Peso molecular | 368.500 g/mol |
|---|---|
| XLogP3 | 5.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 8 |
| Exact Mass | 368.199 Da |
| Monoisotopic Mass | 368.199 Da |
| Topological Polar Surface Area | 44.800 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 445.000 |
| 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 |
