11955 <common-name>Carbonic acid, cis-3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl ethyl ester</common-name> <description>Carbonic acid, cis-3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl ethyl ester is an organic compound with the chemical formula C21H27NO5 and an average molecular weight of 373.45 g/mol. Carbonic acid, cis-3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl ethyl ester belongs to the xylenes, a subclass of benzene and substituted derivatives within the organic compounds. This substance is associated with nine recorded sources across various sectors. In the category of electrical and electronic equipment, it is found in or released from amplifiers, coils, colour television systems, emergency protective devices, and gas filled discharge tubes with solid cathode, among one other source. Additionally, the compound is linked to food, food processing, and cookware, specifically regarding the treatment of hops and molasses and the treatment of molasses. In the building and construction sector, it is identified in floors.</description> <cas>203313-25-1</cas> <pubchem-id>9969573</pubchem-id> <chemical-formula>C21H27NO5</chemical-formula> <weight>373.4</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">2016-05-19T03:29:07Z</created-at> <updated-at type="dateTime">2026-08-21T19:38:41Z</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>[H][C@@]1(CC[C@]2(CC1)N=C(O)C(=C2OC(=O)OCC)C1=C(C)C=CC(C)=C1)OC</moldb-smiles> <moldb-formula>C21H27NO5</moldb-formula> <moldb-inchi>InChI=1S/C21H27NO5/c1-5-26-20(24)27-18-17(16-12-13(2)6-7-14(16)3)19(23)22-21(18)10-8-15(25-4)9-11-21/h6-7,12,15H,5,8-11H2,1-4H3,(H,22,23)/t15-,21+</moldb-inchi> <moldb-inchikey>CLSVJBIHYWPGQY-GGYDESQDSA-N</moldb-inchikey> <moldb-average-mass type="decimal">373.449</moldb-average-mass> <moldb-mono-mass type="decimal">373.188922973</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.2</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>8145165</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>CHEM010850</chemdb-id> <dsstox-id>DTXSID7044342</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00008224</susdat-id> <iupac>[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate</iupac> <moldb-polar-surface-area>77.35000000000001</moldb-polar-surface-area> <moldb-refractivity>102.9939</moldb-refractivity> <moldb-polarizability>41.49348785342076</moldb-polarizability> <moldb-rotatable-bond-count>6</moldb-rotatable-bond-count> <moldb-acceptor-count>5</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>5.276935850420486</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>1.8153131416840291</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>3</moldb-number-of-rings> <moldb-alogps-logp>3.63</moldb-alogps-logp> <moldb-alogps-logs>-4.67</moldb-alogps-logs> <moldb-alogps-solubility>8.01e-03 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Xylenes</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0156145</sync-id> <structure-inchikey>CLSVJBIHYWPGQY-GGYDESQDSA-N</structure-inchikey> <structure-fingerprint>40000880000000100000010000000000000000000001204000000040002000000010000008000002000000000000000040000000000000008000000000000000000000000000000000020000000000100000000000000000000000080010000000040000000100000000000020040000000000000000004100000000048000000000000004020000000200000000000000000020000000400000000000004000000040000080100000000000000000000000000000000002000000000000000202000000000000000000000100000002040000200000000000000000100000400000140080000000400000000000080000000000000200000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€�� 4��������`�������`������ $�������`�������`�������(�������(�������h��������(�������(�������(�������(�������(�������(�������`�������`������@(������@(�������`������@h�������@h�������@(�������`������@h�������� ������`��������������������������(��� � (� � �� � (��� ������ � ��h������h���h���h������h������������h� ��B�������������� ������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:04:40Z</structure-indexed-at> </compound>