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<compound>
  <version>1.0</version>
  <creation_date>2026-08-28 03:23:03 UTC</creation_date>
  <update_date>2026-08-28 03:23:03 UTC</update_date>
  <accession/>
  <common_name>Dimethyl 2-(3-ethyl-3-methylpentyl)propanedioate</common_name>
  <class>SmallMolecule</class>
  <description>Dimethyl 2-(3-ethyl-3-methylpentyl)propanedioate is an organic compound with the chemical formula C13H24O4 and an average molecular weight of 244.33 g/mol. Dimethyl 2-(3-ethyl-3-methylpentyl)propanedioate belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds.

This compound has been identified in or released from seven recorded sources. Within the category of food, food processing, and cookware, it is associated with brew kettles, the preparation of malt, the preparation of vinegar, the preparation of wort, and the treatment of hops. Additionally, it has been detected in building and construction materials, specifically ceilings, as well as in electrical and electronic equipment, specifically antennas.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C13H24O4</chemical_formula>
  <average_molecular_weight/>
  <monisotopic_moleculate_weight>244.1674592</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>1020253-71-7</cas_registry_number>
  <smiles>CCC(C)(CC)CCC(C(=O)OC)C(=O)OC</smiles>
  <inchi>InChI=1S/C13H24O4/c1-6-13(3,7-2)9-8-10(11(14)16-4)12(15)17-5/h10H,6-9H2,1-5H3</inchi>
  <inchikey>AIUDWMLXCFRVDR-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom/>
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    <class/>
    <sub_class/>
    <direct_parent/>
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    <substituents/>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
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  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>3.9</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>mono_mass</kind>
      <value>244.1674592</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCC(C)(CC)CCC(C(=O)OC)C(=O)OC</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C13H24O4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C13H24O4/c1-6-13(3,7-2)9-8-10(11(14)16-4)12(15)17-5/h10H,6-9H2,1-5H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>AIUDWMLXCFRVDR-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
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  <lethaldose/>
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  <symptoms/>
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  <hmdb_id/>
  <pubchem_compound_id>42552953</pubchem_compound_id>
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