<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">62730</id>
  <title nil="true"/>
  <common-name>3-Cyclohexene-1-methanol, .alpha.,4,6,6-tetramethyl-, 1-formate</common-name>
  <description nil="true"/>
  <cas>63649-51-4</cas>
  <pubchem-id>112703</pubchem-id>
  <chemical-formula>C12H20O2</chemical-formula>
  <weight nil="true"/>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-04-02T22:25:13Z</created-at>
  <updated-at type="dateTime">2026-05-20T17:10:36Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CC(OC=O)C1CC=C(C)CC1(C)C</moldb-smiles>
  <moldb-formula>C12H20O2</moldb-formula>
  <moldb-inchi>InChI=1S/C12H20O2/c1-9-5-6-11(10(2)14-8-13)12(3,4)7-9/h5,8,10-11H,6-7H2,1-4H3</moldb-inchi>
  <moldb-inchikey>LYXVXHDZNUEEGM-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">196.29</moldb-average-mass>
  <moldb-mono-mass type="decimal">196.14633</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>101015</chemspider-id>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM058623</chemdb-id>
  <dsstox-id>DTXSID90886633</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00013228</susdat-id>
  <iupac>1-(4,6,6-trimethylcyclohex-3-en-1-yl)ethyl formate</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
</compound>
