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| SKU | Size | Availability |
Price | Qty |
|---|---|---|---|---|
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M468113-1g
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1g |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
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$721.90
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M468113-5g
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5g |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
|
$3,214.90
|
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| Synonyms | J-014973 | Methyl 5,5-dimethoxypentanoate # | DTXSID60338851 | Methyl 5,5-dimethoxyvalerate | Methyl 5,5-dimethoxyvalerate, 96% | Pentanoic acid, 5,5-dimethoxy-, methyl ester | SCHEMBL1308174 | FT-0765803 | Methyl 5,5-bis(methyloxy)pentanoate | Methyl 5,5 |
|---|---|
| Specifications & Purity | ≥96% |
| Product Description |
Description Methyl 5,5-dimethoxyvalerate (methyl 5,5-dimethoxypentanoate) is an ester. It can be prepared by reacting methyl 5-oxopentanoate withp-toluene sulfonic acid and trimethylorthoformate. It participates in the synthesis of 1-palmitoyl-2-(5-oxovaleroyl)-sn-glycero-3-phosphatidylcholine.Methyl 5,5-dimethoxyvalerate may be employed in the synthesis of seven-membered carbocycles. It may be used in the synthesis of 5-(phenylamino)-4-(phenylimino)methyl)-4-pentenoic acid derivatives. |
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Fatty Acyls |
| Subclass | Fatty acid esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Fatty acid methyl esters |
| Alternative Parents | Methyl esters Monocarboxylic acids and derivatives Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Fatty acid methyl ester - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as fatty acid methyl esters. These are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group. |
| External Descriptors | Not available |
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| IUPAC Name | methyl 5,5-dimethoxypentanoate |
|---|---|
| INCHI | InChI=1S/C8H16O4/c1-10-7(9)5-4-6-8(11-2)12-3/h8H,4-6H2,1-3H3 |
| InChIKey | YOFAONQHOIRLCQ-UHFFFAOYSA-N |
| Smiles | COC(CCCC(=O)OC)OC |
| Isomeric SMILES | COC(CCCC(=O)OC)OC |
| WGK Germany | 3 |
| Molecular Weight | 176.21 |
| Reaxy-Rn | 1766527 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1766527&ln= |
| Refractive Index | n20/D 1.422(lit.) |
|---|---|
| Flash Point(°F) | 145.4 °F |
| Flash Point(°C) | 63 °C |
| Boil Point(°C) | 70-72° C |
| Molecular Weight | 176.210 g/mol |
| XLogP3 | 0.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 176.105 Da |
| Monoisotopic Mass | 176.105 Da |
| Topological Polar Surface Area | 44.800 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 120.000 |
| 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 |