69231 <common-name>Butanenitrile, 4,4-dimethoxy-</common-name> <description>Butanenitrile, 4,4-dimethoxy- belongs to the ethers, a subclass of organooxygen compounds within the organic compounds. This compound has the chemical formula C6H11N1O2 and an average molecular weight of 129.16 g/mol. It is further classified as an organic oxygen compound.</description> <cas>14618-78-1</cas> <pubchem-id>84558</pubchem-id> <chemical-formula>C6H11N1O2</chemical-formula> <weight>129.16</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">2026-04-03T14:43:29Z</created-at> <updated-at type="dateTime">2026-08-23T05:30:05Z</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>COC(CCC#N)OC</moldb-smiles> <moldb-formula>C6H11N1O2</moldb-formula> <moldb-inchi>InChI=1S/C6H11NO2/c1-8-6(9-2)4-3-5-7/h6H,3-4H2,1-2H3</moldb-inchi> <moldb-inchikey>XJHNCGVHPLDMRK-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">129.159</moldb-average-mass> <moldb-mono-mass type="decimal">129.078979</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.1</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>76280</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>CHEM065124</chemdb-id> <dsstox-id>DTXSID3065796</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00024776</susdat-id> <iupac>4,4-dimethoxybutanenitrile</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>Organic oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Ethers</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0123716</sync-id> <structure-inchikey>XJHNCGVHPLDMRK-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000000000000004000020000000000000000008000000000000000000000000000000000000000004000000000000000000000000000000000000000000000000080000000000000020000100000000001000000000000200000000000040000000000000000000000000000000000000000010000000000040000000400000000000000000000000000000000000000000000000000000000000000001000000008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000002000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>1000000000020000000010000020000000000000040000000000400000000040000000008000000000010000000000042000000004000000004460002000008011000000000000000000100042000000000000400000020000000000000100042000000000000000000000402000002000001004002000110c00000010000200400000044000000800000009000000100400024400000000080800000000000043000000004000000008000000000002c0000000000800000000000000000000000000040000000080000000000000000000000000400000000000080000000000080000000000000000000000000800000000004000000000000050000000</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAJAAAACAAAAIABBgBgAAAAAQMIACAAAAAC BgBgAAAAAwEGAGAAAAACAgYAYAAAAAICBgAoAAAAAgQHACgAAAACAwgAIAAA AAIGAGAAAAABAwsAAQABAgACAwADBAAEBQAFBggDAgcABwgAQgAAAAAXBAAA AAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:19:02Z</structure-indexed-at> </compound>