80687 <common-name>6-Isobutyl-1,1,3,3-tetramethylindan-5-ol</common-name> <description>6-Isobutyl-1,1,3,3-tetramethylindan-5-ol belongs to the indanes, a class of benzenoids within the organic compounds. This compound has the formula C17H26O1 and an average molecular weight of 246.39 g/mol.</description> <cas>93892-34-3</cas> <pubchem-id>3022770</pubchem-id> <chemical-formula>C17H26O1</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">2026-04-04T16:21:59Z</created-at> <updated-at type="dateTime">2026-04-04T16:21:59Z</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(C)CC1=CC2=C(C=C1O)C(C)(C)CC2(C)C</moldb-smiles> <moldb-formula>C17H26O1</moldb-formula> <moldb-inchi>InChI=1S/C17H26O/c1-11(2)7-12-8-13-14(9-15(12)18)17(5,6)10-16(13,3)4/h8-9,11,18H,7,10H2,1-6H3</moldb-inchi> <moldb-inchikey>NZXCKXLASHGCFV-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">246.394</moldb-average-mass> <moldb-mono-mass type="decimal">246.198365</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>2289187</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>CHEM076580</chemdb-id> <dsstox-id>DTXSID20239835</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00039727</susdat-id> <iupac>1,1,3,3-tetramethyl-6-(2-methylpropyl)-2H-inden-5-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>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Indanes</klass> <subklass nil="true"/> <paper-count type="integer">0</paper-count> <sync-id>CED0093515</sync-id> <structure-inchikey>NZXCKXLASHGCFV-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000001800000000000000000000000000000000000000000000000001000000000000000000000000000004000000000000000000000080000000000000000000000000000000000000000000000000010000200000000000000000000010000000000020000100000000000020080004000000000000000000000000048000000040000000000000000000000000000000000000000000020000000000000000004000000080000000000000200000000000000000000000000000000000000002100000000000000000000000000000000000000010000000000000000000100000040100000000000000000000000080000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAASAAAAEwAAAIABBgBgAAAAAQMGAGAAAAAD AQYAYAAAAAEDBgBgAAAAAgIGQCgAAAADBAZAaAAAAAMDAQZAKAAAAAMEBkAo AAAAAwQGQGgAAAADAwEGQCgAAAADBAgAaAAAAAMBAQYAIAAAAAQGAGAAAAAB AwYAYAAAAAEDBgBgAAAAAgIGACAAAAAEBgBgAAAAAQMGAGAAAAABAwsAAQAB AgABAwADBAAEBWgMBQZoDAYHaAwHCGgMCAloDAkKIAcLAAsMAAsNAAsOAA4P AA8QAA8RAAkEaAwPBgBCAgAAAAYECQgHBgUFCwcGDw4XBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:27:32Z</structure-indexed-at> </compound>