<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 04:04:47 UTC</creation_date>
  <update_date>2026-08-23 03:25:35 UTC</update_date>
  <accession/>
  <common_name>1,5-Hexadiene</common_name>
  <class>SmallMolecule</class>
  <description>1,5-Hexadiene is an organic compound with the chemical formula C6H10 and an average molecular weight of 82.15 g/mol. 1,5-Hexadiene belongs to the olefins, a subclass of unsaturated hydrocarbons within the organic compounds.

This substance is found in or released from 32 recorded sources across several diverse categories. Within electrical and electronic equipment, it is associated with antennas, coils, adjustable resistors, communication cables or conductors, and conductors or conductive bodies characterised by the conductive materials, among 13 other sources. In the realm of food, food processing and cookware, the compound is linked to food preservation, the processing of meats, fermentation processes for beer, and the preparation of vinegar, wine, or sparkling wine. 

Additionally, 1,5-Hexadiene is identified in household cleaning and consumer products, including soap detergents, bleaching agents, tobacco smoke filters, cigar cigarettes, and perfumes within detergents and soaps. It is also found in building and construction materials, specifically in tents or canopies, ladders, fencing, and ceilings.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C6H10</chemical_formula>
  <average_molecular_weight>82.146</average_molecular_weight>
  <monisotopic_moleculate_weight>82.078250322</monisotopic_moleculate_weight>
  <iupac_name>hexa-1,5-diene</iupac_name>
  <traditional_iupac>1,5-hexadiene</traditional_iupac>
  <cas_registry_number>592-42-7</cas_registry_number>
  <smiles>C=CCCC=C</smiles>
  <inchi>InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H,1-2,5-6H2</inchi>
  <inchikey>PYGSKMBEVAICCR-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Hydrocarbons</super_class>
    <class>Unsaturated hydrocarbons</class>
    <sub_class>Olefins</sub_class>
    <direct_parent>Alkadienes</direct_parent>
    <alternate_parents>
      <alternative_parent>Unsaturated aliphatic hydrocarbons</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Alkadiene</substituent>
      <substituent>Unsaturated aliphatic hydrocarbon</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>
    <property>
      <kind>logp</kind>
      <value>2.9</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>3.05</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-2.83</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>2.52</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>hexa-1,5-diene</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>82.146</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>82.078250322</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>C=CCCC=C</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C6H10</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H,1-2,5-6H2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>PYGSKMBEVAICCR-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>29.5</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>10.49</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>3</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/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bb3d3fd38&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>11598</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>11110</chemspider_id>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
  <stitch_id/>
  <actor_id/>
  <pdb_id/>
  <wikipidia/>
  <general_references/>
  <targets>
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  </targets>
</compound>
