354126 <common-name>Ethyl 2-[2,3-bis(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)cyclopropylidene]-2-cyanoacetate</common-name> <description>Ethyl 2-[2,3-bis(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)cyclopropylidene]-2-cyanoacetate is a chemical compound with the formula C36H45NO4. With an average molecular weight of 555.70 g/mol, Ethyl 2-[2,3-bis(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)cyclopropylidene]-2-cyanoacetate is a heavy molecule.</description> <cas>63165-90-2</cas> <pubchem-id>113106</pubchem-id> <chemical-formula>C36H45NO4</chemical-formula> <weight>555.7</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">2026-08-31T21:27:52Z</created-at> <updated-at type="dateTime">2026-08-31T21:27:52Z</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>CCOC(=O)C(=C1C(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C1=C3C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C)C#N</moldb-smiles> <moldb-formula>C36H45NO4</moldb-formula> <moldb-inchi>InChI=1S/C36H45NO4/c1-14-41-32(40)22(19-37)29-27(20-15-23(33(2,3)4)30(38)24(16-20)34(5,6)7)28(29)21-17-25(35(8,9)10)31(39)26(18-21)36(11,12)13/h15-18H,14H2,1-13H3</moldb-inchi> <moldb-inchikey>IWYGJMCZNICZCX-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">555.3348589</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>7.7</logp> <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>CHEM350019</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>Ethyl 2-[2,3-bis(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)cyclopropylidene]-2-cyanoacetate</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>Lipids and lipid-like molecules</superklass> <klass>Prenol lipids</klass> <subklass>Sesquiterpenoids</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0304408</sync-id> <structure-inchikey>IWYGJMCZNICZCX-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>880000002000000010000000000000000000000040000000000002000020000000000000000000800010000000000200000000000000000000000000000000000000000000000020000020024100004800000000000000000200110200000000000000000000000000000000000000000000000000000000000040000000000000000000000000000000000000000000020000000000000000000000001000000000088200000000000000000000080000000000000000000000000000200040000000000000000000040000002000000000800001000000010000000000000040000000000600000000000000000000008000000000</structure-fingerprint> 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