≥98% 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.
| Sonrisas canónicas | CC(C)(C)C1=CC(=CC(=C1O)C=O)C#CC2=CC(=CC(=C2)C#CC3=CC(=C(C(=C3)C(C)(C)C)O)C=O)C#CC4=CC(=C(C(=C4)C(C)(C)C)O)C=O |
|---|---|
| IUPAC Name | 5-[2-[3,5-bis[2-(3-tert-butyl-5-formyl-4-hydroxyphenyl)ethynyl]phenyl]ethynyl]-3-tert-butyl-2-hydroxybenzaldehyde |
| InChIKey | ZDPXAFWKNLTUNC-UHFFFAOYSA-N |
| INCHI | 1S/C45H42O6/c1-43(2,3)37-22-31(19-34(25-46)40(37)49)13-10-28-16-29(11-14-32-20-35(26-47)41(50)38(23-32)44(4,5)6)18-30(17-28)12-15-33-21-36(27-48)42(51)39(24-33)45(7,8)9/h16-27,49-51H,1-9H3 |
| Isómeros SMILES | CC(C)(C)C1=CC(=CC(=C1O)C=O)C#CC2=CC(=CC(=C2)C#CC3=CC(=C(C(=C3)C(C)(C)C)O)C=O)C#CC4=CC(=C(C(=C4)C(C)(C)C)O)C=O |
| PubChem CID | 11193237 |
| Peso molecular | 678.8 |
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 | Phenylpropanoids and polyketides |
| Clase | Diarylheptanoids |
| Subclass | Linear diarylheptanoids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Linear diarylheptanoids |
| Alternative Parents | Phenylpropanes Hydroxybenzaldehydes Benzoyl derivatives Phenols Vinylogous acids Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Linear 1,7-diphenylheptane skeleton - Phenylpropane - Hydroxybenzaldehyde - Benzoyl - Benzaldehyde - Aryl-aldehyde - Phenol - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Aldehyde - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain. |
| External Descriptors | Not available |
| Peso molecular | 678.800 g/mol |
|---|---|
| XLogP3 | 12.000 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 12 |
| Exact Mass | 678.298 Da |
| Monoisotopic Mass | 678.298 Da |
| Topological Polar Surface Area | 112.000 Ų |
| Heavy Atom Count | 51 |
| Formal Charge | 0 |
| Complexity | 1260.000 |
| 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 |
