<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-06-03 12:27:20 UTC</creation_date>
  <update_date>2026-08-18 20:58:58 UTC</update_date>
  <accession/>
  <common_name>3-(triethoxysilyl)propyl prop-2-enoate</common_name>
  <class>SmallMolecule</class>
  <description>3-(triethoxysilyl)propyl prop-2-enoate (C12H24O5Si) is a chemical compound with an average molecular weight of 276.40 g/mol. 3-(triethoxysilyl)propyl prop-2-enoate belongs to the organosilicon compounds, a subclass of organometalloid compounds within the organic compounds.

This compound has been identified in or released from six recorded sources. These sources include drinking water and water supply systems, specifically drinking water. In the building and construction sector, it is associated with fencing. Additionally, it is found in electrical and electronic equipment, including magnets, emergency protective devices, electric hearing aids, and coils. Regarding human or environmental interaction, the recorded exposure route for this substance is oral.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C12H24O5Si</chemical_formula>
  <average_molecular_weight>276.404</average_molecular_weight>
  <monisotopic_moleculate_weight>276.139300408</monisotopic_moleculate_weight>
  <iupac_name>3-(triethoxysilyl)propyl prop-2-enoate</iupac_name>
  <traditional_iupac>3-(triethoxysilyl)propyl prop-2-enoate</traditional_iupac>
  <cas_registry_number>20208-39-3</cas_registry_number>
  <smiles>CCO[Si](CCCOC(=O)C=C)(OCC)OCC</smiles>
  <inchi>InChI=1S/C12H24O5Si/c1-5-12(13)14-10-9-11-18(15-6-2,16-7-3)17-8-4/h5H,1,6-11H2,2-4H3</inchi>
  <inchikey>XDQWJFXZTAWJST-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>Acrylic acid esters</alternative_parent>
      <alternative_parent>Carbonyl compounds</alternative_parent>
      <alternative_parent>Enoate esters</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Monocarboxylic acids and derivatives</alternative_parent>
      <alternative_parent>Organic metalloid salts</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
      <alternative_parent>Organoheterosilanes</alternative_parent>
      <alternative_parent>Silyl ethers</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Acrylic acid ester</substituent>
      <substituent>Acrylic acid or derivatives</substituent>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Alpha,beta-unsaturated carboxylic ester</substituent>
      <substituent>Carbonyl group</substituent>
      <substituent>Carboxylic acid derivative</substituent>
      <substituent>Carboxylic acid ester</substituent>
      <substituent>Enoate ester</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Monocarboxylic acid or derivatives</substituent>
      <substituent>Organic metalloid salt</substituent>
      <substituent>Organic oxide</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>3.12</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-3.36</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>1.22e-01 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>2.82</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>-3.8</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>3-(triethoxysilyl)propyl prop-2-enoate</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>276.404</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>276.139300408</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCO[Si](CCCOC(=O)C=C)(OCC)OCC</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C12H24O5Si</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C12H24O5Si/c1-5-12(13)14-10-9-11-18(15-6-2,16-7-3)17-8-4/h5H,1,6-11H2,2-4H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>XDQWJFXZTAWJST-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>53.99</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>65.79</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>29.86</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>12</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>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72a9e871c8&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>11119352</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id/>
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  <biocyc_id/>
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  <pdb_id/>
  <wikipidia/>
  <general_references/>
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</compound>
