≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1(COC(OC1)CCCCC(=O)C2=CC3=CC=CC=C3C=C2)C |
|---|---|
| IUPAC Name | 5-(5,5-dimethyl-1,3-dioxan-2-yl)-1-naphthalen-2-ylpentan-1-one |
| InChIKey | HVIKLJARIQCPMV-UHFFFAOYSA-N |
| INCHI | 1S/C21H26O3/c1-21(2)14-23-20(24-15-21)10-6-5-9-19(22)18-12-11-16-7-3-4-8-17(16)13-18/h3-4,7-8,11-13,20H,5-6,9-10,14-15H2,1-2H3 |
| Isomeric SMILES | CC1(COC(OC1)CCCCC(=O)C2=CC3=CC=CC=C3C=C2)C |
| PubChem CID | 24727936 |
| Molecular Weight | 326.436 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Butyrophenones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Butyrophenones |
| Alternative Parents | Naphthalenes Aryl alkyl ketones 1,3-dioxanes Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives Aldehydes |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Butyrophenone - Naphthalene - Aryl alkyl ketone - Aryl ketone - Meta-dioxane - Ketone - Oxacycle - Organoheterocyclic compound - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as butyrophenones. These are compounds containing 1-phenylbutan-1-one moiety. |
| External Descriptors | Not available |
| Molecular Weight | 326.400 g/mol |
|---|---|
| XLogP3 | 4.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 326.188 Da |
| Monoisotopic Mass | 326.188 Da |
| Topological Polar Surface Area | 35.500 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 407.000 |
| 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 |
