<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-06-03 13:16:37 UTC</creation_date>
  <update_date>2026-08-23 07:35:56 UTC</update_date>
  <accession/>
  <common_name>(3-chloropropyl)dimethoxymethylsilane</common_name>
  <class>SmallMolecule</class>
  <description>(3-chloropropyl)dimethoxymethylsilane belongs to the organosilicon compounds, a subclass of organometalloid compounds within the organic compounds. This compound has the chemical formula C6H15ClO2Si and an average molecular weight of 182.72 g/mol. It is classified within the superclass of organometallic compounds.

In industrial applications, (3-chloropropyl)dimethoxymethylsilane is utilized as a hardener and as an adhesion/cohesion promoter. The substance has been identified in eight recorded sources, including drinking water and water supply systems. It is also associated with building and construction materials, specifically ladders, and electrical and electronic equipment. Within the electronics category, it is found in antennas, magnets, power cables, discharge lamps, and gas filled discharge tubes with solid cathodes. Regarding human exposure, the recorded route is oral.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C6H15ClO2Si</chemical_formula>
  <average_molecular_weight>182.72</average_molecular_weight>
  <monisotopic_moleculate_weight>182.052984</monisotopic_moleculate_weight>
  <iupac_name>(3-chloropropyl)dimethoxymethylsilane</iupac_name>
  <traditional_iupac>(3-chloropropyl)dimethoxymethylsilane</traditional_iupac>
  <cas_registry_number>18171-19-2</cas_registry_number>
  <smiles>CO[Si](C)(CCCCl)OC</smiles>
  <inchi>InChI=1S/C6H15ClO2Si/c1-8-10(3,9-2)6-4-5-7/h4-6H2,1-3H3</inchi>
  <inchikey>KNTKCYKJRSMRMZ-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organometallic compounds</super_class>
    <class>Organometalloid compounds</class>
    <sub_class>Organosilicon compounds</sub_class>
    <direct_parent>Alkoxysilanes</direct_parent>
    <alternate_parents>
      <alternative_parent>Alkyl chlorides</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organic metalloid salts</alternative_parent>
      <alternative_parent>Organochlorides</alternative_parent>
      <alternative_parent>Organoheterosilanes</alternative_parent>
      <alternative_parent>Organooxygen compounds</alternative_parent>
      <alternative_parent>Silyl ethers</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Alkoxysilane</substituent>
      <substituent>Alkyl chloride</substituent>
      <substituent>Alkyl halide</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Organic metalloid salt</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organic salt</substituent>
      <substituent>Organochloride</substituent>
      <substituent>Organohalogen compound</substituent>
      <substituent>Organoheterosilane</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>Silyl ether</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/>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>2.44</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-2.13</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>1.36e+00 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>1.12</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>-3.8</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>(3-chloropropyl)dimethoxymethylsilane</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>182.72</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>182.052984</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CO[Si](C)(CCCCl)OC</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C6H15ClO2Si</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C6H15ClO2Si/c1-8-10(3,9-2)6-4-5-7/h4-6H2,1-3H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>KNTKCYKJRSMRMZ-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>18.46</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>40.11</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>18.37</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>5</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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  <symptoms/>
  <treatment/>
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  <hmdb_id/>
  <pubchem_compound_id>87491</pubchem_compound_id>
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  <chemspider_id>78924</chemspider_id>
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</compound>
