<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-22 04:55:54 UTC</creation_date>
  <update_date>2026-08-19 02:18:27 UTC</update_date>
  <accession/>
  <common_name>2,2-Dimethylpropane-1,3-diyl bis(2-methylprop-2-enoate)</common_name>
  <class>SmallMolecule</class>
  <description>2,2-Dimethylpropane-1,3-diyl bis(2-methylprop-2-enoate) is an organic compound with the chemical formula $\text{C}_{13}\text{H}_{20}\text{O}_4$ and an average molecular weight of 240.30 g/mol. 2,2-Dimethylpropane-1,3-diyl bis(2-methylprop-2-enoate) belongs to the dicarboxylic acids and derivatives, a subclass of carboxylic acids and derivatives within the organic compounds.

In industrial applications, this compound serves as a monomer, as well as a softener and conditioner. It is identified in ten recorded sources across several sectors. Within electrical and electronic equipment, it is found in antennas, coils, electric hearing aids, fixed capacitors and their manufacture, and gas filled discharge tubes with solid cathode, among one other source. Its presence is also noted in building and construction materials, specifically fencing. Additionally, it is released from household cleaning and consumer products such as soap detergents and bleaching agents, and is associated with food, food processing, and cookware, specifically in the processing of fish.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>2,2-dimethyl-3-[(2-methylprop-2-enoyl)oxy]propyl 2-methylprop-2-enoate</synonym>
  </synonyms>
  <chemical_formula>C13H20O4</chemical_formula>
  <average_molecular_weight>240.299</average_molecular_weight>
  <monisotopic_moleculate_weight>240.136159124</monisotopic_moleculate_weight>
  <iupac_name>2,2-dimethyl-3-[(2-methylprop-2-enoyl)oxy]propyl 2-methylprop-2-enoate</iupac_name>
  <traditional_iupac>neopentylglycol dimethacrylate</traditional_iupac>
  <cas_registry_number>1985-51-9</cas_registry_number>
  <smiles>CC(=C)C(=O)OCC(C)(C)COC(=O)C(C)=C</smiles>
  <inchi>InChI=1S/C13H20O4/c1-9(2)11(14)16-7-13(5,6)8-17-12(15)10(3)4/h1,3,7-8H2,2,4-6H3</inchi>
  <inchikey>ULQMPOIOSDXIGC-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organic acids and derivatives</super_class>
    <class>Carboxylic acids and derivatives</class>
    <sub_class>Dicarboxylic acids and derivatives</sub_class>
    <direct_parent>Dicarboxylic acids and derivatives</direct_parent>
    <alternate_parents>
      <alternative_parent>Carbonyl compounds</alternative_parent>
      <alternative_parent>Enoate esters</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Alpha,beta-unsaturated carboxylic ester</substituent>
      <substituent>Carbonyl group</substituent>
      <substituent>Carboxylic acid ester</substituent>
      <substituent>Dicarboxylic acid or derivatives</substituent>
      <substituent>Enoate ester</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organooxygen compound</substituent>
    </substituents>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>3.1</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>3.14</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-3.07</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>2.03e-01 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>3.48</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>-6.5</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>2,2-dimethyl-3-[(2-methylprop-2-enoyl)oxy]propyl 2-methylprop-2-enoate</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>240.299</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>240.136159124</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CC(=C)C(=O)OCC(C)(C)COC(=O)C(C)=C</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C13H20O4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C13H20O4/c1-9(2)11(14)16-7-13(5,6)8-17-12(15)10(3)4/h1,3,7-8H2,2,4-6H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>ULQMPOIOSDXIGC-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>52.6</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>64.49</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>26.3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>8</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>physiological_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formal_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <use_source/>
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  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>16135</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>15319</chemspider_id>
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</compound>
