78177 <common-name>2-Buten-1-one, 1-(2,3-dihydro-1,1,3,3,6-pentamethyl-1H-inden-5-yl)-</common-name> <description>2-Buten-1-one, 1-(2,3-dihydro-1,1,3,3,6-pentamethyl-1H-inden-5-yl)- belongs to the indanes, a class of benzenoids within the organic compounds. This compound has the formula C18H24O1 and an average molecular weight of 256.39 g/mol.</description> <cas nil="true"/> <pubchem-id>109985</pubchem-id> <chemical-formula>C18H24O1</chemical-formula> <weight>256.4</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">2026-04-04T11:36:10Z</created-at> <updated-at type="dateTime">2026-08-29T10:58:51Z</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=CC(=O)C1=C(C)C=C2C(=C1)C(C)(C)CC2(C)C</moldb-smiles> <moldb-formula>C18H24O1</moldb-formula> <moldb-inchi>InChI=1S/C18H24O/c1-7-8-16(19)13-10-15-14(9-12(13)2)17(3,4)11-18(15,5)6/h7-10H,11H2,1-6H3/b8-7+</moldb-inchi> <moldb-inchikey>VHGRISIIWCHDBX-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">256.389</moldb-average-mass> <moldb-mono-mass type="decimal">256.182715</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.4</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>4942068</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>CHEM074070</chemdb-id> <dsstox-id>DTXSID0071384</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00036523</susdat-id> <iupac>1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)but-2-en-1-one</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>CED0117201</sync-id> <structure-inchikey>VHGRISIIWCHDBX-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>1000000000000000000000000000000000000000000008000000000000000000000000000000000000000000000000008000000000000000000080000000100000000000000000000000000000020000000000200000200000000000000000000010000000008000000100000000000060080004000000000000000000000400048000000040000000000000000000000000000000000000000000020000000000000000000000000080100000000000000000000000000000000000000000000000000400000000000000000100000004000002000000000000000000000000000000000000040000000000400000000000000080100000000400000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������h��������h��������(�������(������@(������@(�������`������@h�������@(������@(������@h�������� ������`�������`�������`������� ������`�������`�����������(��� ��(��� ��h������h�� h� h� �h� ��� ������������������h�� �B������� ���� ������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:25:42Z</structure-indexed-at> </compound>