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analytical standard, ≥98% Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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 31 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| ALogP | 19.4 |
|---|
| Canonical Smiles | CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C |
|---|---|
| IUPAC Name | 2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione |
| InChIKey | ACTIUHUUMQJHFO-UPTCCGCDSA-N |
| INCHI | 1S/C59H90O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26+,46-28+,47-30+,48-32+,49-34+,50-36+,51-38+,52-40+,53-42+ |
| Isomeric SMILES | CC1=C(C(=O)C(=C(C1=O)OC)OC)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C |
| WGK Germany | 3 |
| RTECS | DK3900000 |
| Molecular Weight | 863.34 |
| Beilstein | 1900141 |
| Reaxy-Rn | 1900140 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1900140&ln= |
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 | Lipids and lipid-like molecules |
| Class | Prenol lipids |
| Subclass | Quinone and hydroquinone lipids |
| Intermediate Tree Nodes | Prenylquinones |
| Direct Parent | Ubiquinones |
| Alternative Parents | Polyterpenoids Polyprenylbenzoquinones P-benzoquinones Vinylogous esters Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | Polyterpenoid - Polyprenylbenzoquinone - Ubiquinone skeleton - Quinone - P-benzoquinone - Vinylogous ester - Cyclic ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as ubiquinones. These are coenzyme Q derivatives containing a 5, 6-dimethoxy-3-methyl(1,4-benzoquinone) moiety to which an isoprenyl group is attached at ring position 2(or 6). |
| External Descriptors | Ubiquinones |
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| Melt Point(°C) | 49°C |
|---|---|
| Molecular Weight | 863.300 g/mol |
| XLogP3 | 19.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 31 |
| Exact Mass | 862.684 Da |
| Monoisotopic Mass | 862.684 Da |
| Topological Polar Surface Area | 52.600 Ų |
| Heavy Atom Count | 63 |
| Formal Charge | 0 |
| Complexity | 1840.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 9 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 9 |
| Covalently-Bonded Unit Count | 1 |
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