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CHEBI:168774 - bihapten 1 dimethyl ether

ChEBI IDCHEBI:168774
ChEBI Namebihapten 1 dimethyl ether
Stars
DefinitionA butan-4-olide having a methylidene group at the 3-position and a 9-(2,3-dimethoxyphenyl)nonyl substituent at the 5-position.
Last Modified22 December 2015
DownloadsMolfile
FormulaC22H32O4
Net Charge0
Average Mass360.494
Monoisotopic Mass360.23006
SMILESC=C1CC(CCCCCCCCCc2cccc(OC)c2OC)OC1=O
InChIInChI=1S/C22H32O4/c1-17-16-19(26-22(17)23)14-10-8-6-4-5-7-9-12-18-13-11-15-20(24-2)21(18)25-3/h11,13,15,19H,1,4-10,12,14,16H2,2-3H3
InChIKeyMKFJRRMYWGERCT-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
bihapten 1 dimethyl ether (CHEBI:168774) is a butan-4-olide (CHEBI:22950)
bihapten 1 dimethyl ether (CHEBI:168774) is a dimethoxybenzene (CHEBI:51681)
IUPAC Name 
5-[9-(2,3-dimethoxyphenyl)nonyl]-3-methylideneoxolan-2-one
Synonyms  Source
Lactone 8ChEBI
5-[9-(2,3-dimethoxyphenyl)nonyl]-3-methylidenedihydrofuran-2(3H)-oneIUPAC
5-[9-(2,3-dimethoxyphenyl)nonyl]-3-methylene-4,5-dihydrofuran-2-oneChEBI
Registry NumbersSources
Reaxys:5597801Reaxys
Citations