<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">277030</id>
  <title nil="true"/>
  <common-name>2-ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-ol</common-name>
  <description>2-ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-ol is a chemical compound with the formula C28H48O2. It has an average molecular weight of 416.70 g/mol.</description>
  <cas>1438383-30-2</cas>
  <pubchem-id>139291196</pubchem-id>
  <chemical-formula>C28H48O2</chemical-formula>
  <weight>416.7</weight>
  <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">2026-08-26T16:50:55Z</created-at>
  <updated-at type="dateTime">2026-08-26T16:50:55Z</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>CCC(=CCC1CC=C(C1(C)C)C)CO.CCC(=CCC1CC=C(C1(C)C)C)CO</moldb-smiles>
  <moldb-formula>C28H48O2</moldb-formula>
  <moldb-inchi>InChI=1S/2C14H24O/c2*1-5-12(10-15)7-9-13-8-6-11(2)14(13,3)4/h2*6-7,13,15H,5,8-10H2,1-4H3</moldb-inchi>
  <moldb-inchikey>JKDDISSODVTQFO-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">416.3654308</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <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>CHEM272923</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>2-ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-ol</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"/>
  <kingdom nil="true"/>
  <superklass nil="true"/>
  <klass nil="true"/>
  <subklass nil="true"/>
  <paper-count type="integer">1</paper-count>
  <sync-id>CED0058687</sync-id>
  <structure-inchikey>JKDDISSODVTQFO-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>1000000000000800000000000001000000000000800000002000000000000000002000001000000000000000000000000000000000000000100000200000000000000008000000280000000000000000000000200000000000000000000800000010000010000000000000000200000020000000000000000000000100000000048000800000000000002000000000000000000000000000000000020800000000000000000000000080000000000000000000000000000000000000000000010000000000000000000000000800020000000002000000000000004000000000000000000000040000000000000000002000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������(�������h��������`�������`�������`�������h��������(������� ������`�������`�������`�������`�������`�������`�������`�������(�������h��������`�������`�������`�������h��������(������� ������`�������`�������`�������`�������`���������������������������������	�	
�	�����������������������������������������������������	�����B���������	����������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:52:45Z</structure-indexed-at>
</compound>
