<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 03:27:05 UTC</creation_date>
  <update_date>2026-08-23 23:00:17 UTC</update_date>
  <accession/>
  <common_name>Silane, trimethoxy(2-methylpropyl)-</common_name>
  <class>SmallMolecule</class>
  <description>Silane, trimethoxy(2-methylpropyl)- is a chemical compound with the formula C7H18O3Si and an average molecular weight of 178.30 g/mol. Silane, trimethoxy(2-methylpropyl)- belongs to the organosilicon compounds, a subclass of organometalloid compounds within the organic compounds.

In industrial applications, this substance is utilized as a dispersing agent. It has been identified in nine recorded sources, including household cleaning and consumer products such as ash trays, as well as drinking water and water supply. It is also found in building and construction materials, specifically tents, canopies, and ceilings. Additionally, it is associated with electrical and electronic equipment, including power cables, discharge lamps, antennas, thin magnetic films, and cores yokes or armatures. The recorded route of exposure for this compound is oral.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>trimethoxy(2-methylpropyl)silane</synonym>
  </synonyms>
  <chemical_formula>C7H18O3Si</chemical_formula>
  <average_molecular_weight>178.303</average_molecular_weight>
  <monisotopic_moleculate_weight>178.102520975</monisotopic_moleculate_weight>
  <iupac_name>trimethoxy(2-methylpropyl)silane</iupac_name>
  <traditional_iupac>trimethoxy(2-methylpropyl)silane</traditional_iupac>
  <cas_registry_number>18395-30-7</cas_registry_number>
  <smiles>CO[Si](CC(C)C)(OC)OC</smiles>
  <inchi>InChI=1S/C7H18O3Si/c1-7(2)6-11(8-3,9-4)10-5/h7H,6H2,1-5H3</inchi>
  <inchikey>XYJRNCYWTVGEEG-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>Trialkoxysilanes</direct_parent>
    <alternate_parents>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organic metalloid salts</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>Hydrocarbon derivative</substituent>
      <substituent>Organic metalloid salt</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organic salt</substituent>
      <substituent>Organoheterosilane</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>Silyl ether</substituent>
      <substituent>Trialkoxysilane</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>2.29</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-1.59</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>4.61e+00 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>1.82</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>-3.8</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>trimethoxy(2-methylpropyl)silane</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>178.303</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>178.102520975</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CO[Si](CC(C)C)(OC)OC</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C7H18O3Si</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C7H18O3Si/c1-7(2)6-11(8-3,9-4)10-5/h7H,6H2,1-5H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>XYJRNCYWTVGEEG-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>27.69</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>40.33</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>18.86</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>5</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>3</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>
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  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>87622</pubchem_compound_id>
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