for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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(CC(=O)C(C(=O)C1)C(C2=CC=CS2)C3=C(CC(CC3=O)(C)C)O)C |
|---|---|
| IUPAC Name | 2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-thiophen-2-ylmethyl]-5,5-dimethylcyclohexane-1,3-dione |
| InChIKey | VGZWLMHFXYHTGL-UHFFFAOYSA-N |
| INCHI | 1S/C21H26O4S/c1-20(2)8-12(22)17(13(23)9-20)19(16-6-5-7-26-16)18-14(24)10-21(3,4)11-15(18)25/h5-7,17,19,24H,8-11H2,1-4H3 |
| Molecular Weight | 374.500 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Prenol lipids |
| Subclass | Sesquiterpenoids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Sesquiterpenoids |
| Alternative Parents | Cyclohexenones Beta-diketones Vinylogous acids Thiophenes Heteroaromatic compounds Enols Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Sesquiterpenoid - Bisabolane sesquiterpenoid - Cyclohexenone - 1,3-diketone - 1,3-dicarbonyl compound - Thiophene - Heteroaromatic compound - Vinylogous acid - Ketone - Cyclic ketone - Enol - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Carbonyl group - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. |
| External Descriptors | Not available |
| Molecular Weight | 374.500 g/mol |
|---|---|
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 374.155 Da |
| Monoisotopic Mass | 374.155 Da |
| Topological Polar Surface Area | 99.700 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 653.000 |
| 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 |
