<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 03:46:27 UTC</creation_date>
  <update_date>2026-08-18 13:46:17 UTC</update_date>
  <accession/>
  <common_name>7-Oxabicyclo[4.1.0]heptane, 3-[2-(trimethoxysilyl)ethyl]-</common_name>
  <class>SmallMolecule</class>
  <description>7-Oxabicyclo[4.1.0]heptane, 3-[2-(trimethoxysilyl)ethyl]- is an organic compound with the chemical formula C11H22O4Si and an average molecular weight of 246.38 g/mol. 7-Oxabicyclo[4.1.0]heptane, 3-[2-(trimethoxysilyl)ethyl]- belongs to the organosilicon compounds, a subclass of organometalloid compounds within the organic compounds.

In industrial applications, this substance serves as a chemical reaction regulator, a dispersing agent, and an adhesion/cohesion promoter. It is found in or released from 22 recorded sources. Within the category of electrical and electronic equipment, it is associated with antennas, coils, communication cables or conductors, cores yokes or armatures, discharge lamps, and nine additional sources. In building and construction, it is found in ceilings, fencing, floors, ladders, stairs, and ramps. Additionally, it is present in household cleaning and consumer products, specifically in ash trays, bleaching agents, and tobacco smoke filters.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>beta-(3,4-Epoxycyclohexyl)ethyltrimethoxysilane</synonym>
    <synonym>trimethoxy(2-{7-oxabicyclo[4.1.0]heptan-3-yl}ethyl)silane</synonym>
  </synonyms>
  <chemical_formula>C11H22O4Si</chemical_formula>
  <average_molecular_weight>246.378</average_molecular_weight>
  <monisotopic_moleculate_weight>246.128735723</monisotopic_moleculate_weight>
  <iupac_name>trimethoxy(2-{7-oxabicyclo[4.1.0]heptan-3-yl}ethyl)silane</iupac_name>
  <traditional_iupac>trimethoxy(2-{7-oxabicyclo[4.1.0]heptan-3-yl}ethyl)silane</traditional_iupac>
  <cas_registry_number>3388-04-3</cas_registry_number>
  <smiles>CO[Si](CCC1CCC2OC2C1)(OC)OC</smiles>
  <inchi>InChI=1S/C11H22O4Si/c1-12-16(13-2,14-3)7-6-9-4-5-10-11(8-9)15-10/h9-11H,4-8H2,1-3H3</inchi>
  <inchikey>DQZNLOXENNXVAD-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>Dialkyl ethers</alternative_parent>
      <alternative_parent>Epoxides</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organic metalloid salts</alternative_parent>
      <alternative_parent>Organoheterosilanes</alternative_parent>
      <alternative_parent>Oxacyclic compounds</alternative_parent>
      <alternative_parent>Oxepanes</alternative_parent>
      <alternative_parent>Silyl ethers</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Aliphatic heteropolycyclic compound</substituent>
      <substituent>Dialkyl ether</substituent>
      <substituent>Ether</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Organic metalloid salt</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organic salt</substituent>
      <substituent>Organoheterocyclic compound</substituent>
      <substituent>Organoheterosilane</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>Oxacycle</substituent>
      <substituent>Oxepane</substituent>
      <substituent>Oxirane</substituent>
      <substituent>Silyl ether</substituent>
      <substituent>Trialkoxysilane</substituent>
    </substituents>
    <molecular_framework>Aliphatic heteropolycyclic 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>2.54</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-2.46</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>8.47e-01 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>1.54</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>-3.6</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>trimethoxy(2-{7-oxabicyclo[4.1.0]heptan-3-yl}ethyl)silane</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>246.378</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>246.128735723</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CO[Si](CCC1CCC2OC2C1)(OC)OC</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C11H22O4Si</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C11H22O4Si/c1-12-16(13-2,14-3)7-6-9-4-5-10-11(8-9)15-10/h9-11H,4-8H2,1-3H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>DQZNLOXENNXVAD-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>40.22</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>56.53</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>26.38</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>6</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>4</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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  <use_source/>
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  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f721f7476e0&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>18819</pubchem_compound_id>
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</compound>
