| Sonrisas canónicas | CC1(COC(OC1)CCCCC(=O)C2=CC(=CC=C2)OC)C |
|---|---|
| IUPAC Name | 5-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(3-methoxyphenyl)pentan-1-one |
| InChIKey | OUFJUIJNBITYOC-UHFFFAOYSA-N |
| INCHI | 1S/C18H26O4/c1-18(2)12-21-17(22-13-18)10-5-4-9-16(19)14-7-6-8-15(11-14)20-3/h6-8,11,17H,4-5,9-10,12-13H2,1-3H3 |
| Isómeros SMILES | CC1(COC(OC1)CCCCC(=O)C2=CC(=CC=C2)OC)C |
| PubChem CID | 24727845 |
| Peso molecular | 306.402 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Clase | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Butyrophenones Phenoxy compounds Methoxybenzenes Benzoyl derivatives Aryl alkyl ketones Anisoles Alkyl aryl ethers 1,3-dioxanes Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives Aldehydes |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alkyl-phenylketone - Butyrophenone - Phenoxy compound - Anisole - Methoxybenzene - Aryl alkyl ketone - Phenol ether - Benzoyl - Alkyl aryl ether - Meta-dioxane - Monocyclic benzene moiety - Benzenoid - Acetal - Oxacycle - Organoheterocyclic compound - Ether - Organic oxide - Aldehyde - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. |
| External Descriptors | Not available |
| Peso molecular | 306.400 g/mol |
|---|---|
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 306.183 Da |
| Monoisotopic Mass | 306.183 Da |
| Topological Polar Surface Area | 44.800 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 343.000 |
| 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 |
