<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-03 13:54:38 UTC</creation_date>
  <update_date>2026-08-28 14:44:07 UTC</update_date>
  <accession/>
  <common_name>(1S,2S,3S,5R)-2,6,6-Trimethylspiro[bicyclo[3.1.1]heptane-3,1'-cyclohexane]-2'-en-4'-one</common_name>
  <class>SmallMolecule</class>
  <description>(1S,2S,3S,5R)-2,6,6-Trimethylspiro[bicyclo[3.1.1]heptane-3,1'-cyclohexane]-2'-en-4'-one belongs to the monoterpenoids, a subclass of prenol lipids within the organic compounds. This organic compound has the chemical formula C15H22O1 and an average molecular weight of 218.34 g/mol. It is utilized industrially as a fragrance.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>(1S,2S,3S,5R)-2,6,6-Trimethylspiro[bicyclo[3.1.1]heptane-3,1'-cyclohexane]-2'-en-4'-one</synonym>
    <synonym>(1S,2S,3S,5R)-2,6,6-Trimethylspiro[bicyclo[3.1.1]heptane-3,1'-cyclohex[2]en]-4'-one</synonym>
    <synonym>L46 A FXTJ A1 A1 E1 F-&amp; DT6V DX BUTJ &amp;&amp;(1S,2S,3S,5R)- Form</synonym>
    <synonym>Spiro[bicyclo[3.1.1]heptane-3,1'-cyclohex[2]en]-4'-one, 2,6,6-trimethyl-, (1S,2S,3S,5R)-</synonym>
  </synonyms>
  <chemical_formula>C15H22O1</chemical_formula>
  <average_molecular_weight>218.34</average_molecular_weight>
  <monisotopic_moleculate_weight>218.167065</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>133636-82-5</cas_registry_number>
  <smiles>C[C@H]1[C@@H]2C[C@H](C[C@]11CCC(=O)C=C1)C2(C)C</smiles>
  <inchi>InChI=1S/C15H22O/c1-10-13-8-11(14(13,2)3)9-15(10)6-4-12(16)5-7-15/h4,6,10-11,13H,5,7-9H2,1-3H3/t10-,11+,13-,15-/m0/s1</inchi>
  <inchikey>YBDPZJGWLRHCHO-WJNVRWDZSA-N</inchikey>
  <taxonomy>
    <kingdom/>
    <super_class/>
    <class/>
    <sub_class/>
    <direct_parent/>
    <alternate_parents/>
    <substituents/>
    <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>3.8</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>218.34</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>218.167065</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>C[C@H]1[C@@H]2C[C@H](C[C@]11CCC(=O)C=C1)C2(C)C</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C15H22O1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C15H22O/c1-10-13-8-11(14(13,2)3)9-15(10)6-4-12(16)5-7-15/h4,6,10-11,13H,5,7-9H2,1-3H3/t10-,11+,13-,15-/m0/s1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>YBDPZJGWLRHCHO-WJNVRWDZSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <lethaldose/>
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  <use_source/>
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  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72711a9ec0&gt;</health_effects>
  <symptoms/>
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  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>117859414</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>57523134</chemspider_id>
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</compound>
