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<compound>
  <version>1.0</version>
  <creation_date>2026-08-25 15:55:14 UTC</creation_date>
  <update_date>2026-08-25 15:55:14 UTC</update_date>
  <accession/>
  <common_name>2,3-dimethylheptan-2-ol</common_name>
  <class>SmallMolecule</class>
  <description>2,3-dimethylheptan-2-ol belongs to the alcohols and polyols, a subclass of organooxygen compounds within the organic compounds. This organic oxygen compound has the formula C9H20O and an average molecular weight of 144.25 g/mol.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C9H20O</chemical_formula>
  <average_molecular_weight>144.25</average_molecular_weight>
  <monisotopic_moleculate_weight>144.1514153</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>1331-39-1</cas_registry_number>
  <smiles/>
  <inchi>InChI=1S/C9H20O/c1-5-6-7-8(2)9(3,4)10/h8,10H,5-7H2,1-4H3</inchi>
  <inchikey>PQSMEVPHTJECDZ-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom/>
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    <class/>
    <sub_class/>
    <direct_parent/>
    <alternate_parents/>
    <substituents/>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
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  <state/>
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  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>2.9</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>144.25</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>144.1514153</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C9H20O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C9H20O/c1-5-6-7-8(2)9(3,4)10/h8,10H,5-7H2,1-4H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>PQSMEVPHTJECDZ-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
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  <use_source/>
  <min_risk_level/>
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  <symptoms/>
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  <hmdb_id/>
  <pubchem_compound_id>3034119</pubchem_compound_id>
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