<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 03:04:33 UTC</creation_date>
  <update_date>2026-08-18 20:51:04 UTC</update_date>
  <accession/>
  <common_name>N-Dodecene</common_name>
  <class>SmallMolecule</class>
  <description>N-Dodecene is an organic compound with the formula C12H24 and an average molecular weight of 168.32 g/mol. N-Dodecene belongs to the unsaturated aliphatic hydrocarbons, a subclass of unsaturated hydrocarbons within the organic compounds.

In industrial settings, this compound serves multiple roles, acting as a solvent, deodorizer, viscosity modifier, and defoamer. Additionally, it is utilized as a flavouring and nutrient. N-Dodecene is associated with 29 recorded sources. Within the category of electrical and electronic equipment, it is found in antennas, auxiliary devices, communication cables or conductors, contacts, and conductors or conductive bodies characterised by the conductive materials, among 13 other sources. It is also present in building and construction materials, specifically stairs and ramps.

The compound is found in household cleaning and consumer products, including soap detergents, bleaching agents, cigar cigarettes, and perfumes within detergents and soaps. In the context of food, food processing, and cookware, it is linked to food contact materials, food preservation, the processing of meats, the processing of fish, and fermentation processes for beer. Furthermore, it has been recorded in drinking water and water supply. Exposure to N-Dodecene can occur through inhalation, oral ingestion, or touch.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>1-Dodecene</synonym>
    <synonym>Alkenes, C11-13, C12-rich</synonym>
    <synonym>dodec-1-ene</synonym>
    <synonym>dodecene</synonym>
    <synonym>Dodecene</synonym>
  </synonyms>
  <chemical_formula>C12H24</chemical_formula>
  <average_molecular_weight>168.319</average_molecular_weight>
  <monisotopic_moleculate_weight>168.187800768</monisotopic_moleculate_weight>
  <iupac_name>dodec-1-ene</iupac_name>
  <traditional_iupac>1-dodecene</traditional_iupac>
  <cas_registry_number>112-41-4</cas_registry_number>
  <smiles>CCCCCCCCCCC=C</smiles>
  <inchi>InChI=1S/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h3H,1,4-12H2,2H3</inchi>
  <inchikey>CRSBERNSMYQZNG-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Hydrocarbons</super_class>
    <class>Unsaturated hydrocarbons</class>
    <sub_class>Unsaturated aliphatic hydrocarbons</sub_class>
    <direct_parent>Unsaturated aliphatic hydrocarbons</direct_parent>
    <alternate_parents>
      <alternative_parent>Alkenes</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Acyclic olefin</substituent>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Alkene</substituent>
      <substituent>Olefin</substituent>
      <substituent>Unsaturated aliphatic hydrocarbon</substituent>
    </substituents>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <descriptors>
      <descriptor>Hydrocarbons</descriptor>
    </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>6.8</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>6.53</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-5.65</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>3.73e-04 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>5.49</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>dodec-1-ene</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>168.319</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>168.187800768</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCCCCCCCCCC=C</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C12H24</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h3H,1,4-12H2,2H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>CRSBERNSMYQZNG-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>57.06</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>23.88</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>9</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>0</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/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>8183</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>7891</chemspider_id>
  <kegg_id/>
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  <biocyc_id/>
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</compound>
