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CHEBI:50238 - 4-isopropenyl-7-methyloxepan-2-one

ChEBI IDCHEBI:50238
ChEBI Name4-isopropenyl-7-methyloxepan-2-one
Stars
DefinitionA ε-lactone that is oxepan-2-one substituted by an isoprenyl group at position 4 and a methyl group at position 7.
Last Modified29 January 2015
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC10H16O2
Net Charge0
Average Mass168.236
Monoisotopic Mass168.11503
SMILESC=C(C)C1CCC(C)OC(=O)C1
InChIInChI=1S/C10H16O2/c1-7(2)9-5-4-8(3)12-10(11)6-9/h8-9H,1,4-6H2,2-3H3
InChIKeyDNWZWUWUDAGNJB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-isopropenyl-7-methyloxepan-2-one (CHEBI:50238) has parent hydride oxepane (CHEBI:49106)
4-isopropenyl-7-methyloxepan-2-one (CHEBI:50238) is a ε-lactone (CHEBI:50239)
Incoming Relation(s)
(4R,7R)-4-isopropenyl-7-methyloxepan-2-one (CHEBI:228) is a 4-isopropenyl-7-methyloxepan-2-one (CHEBI:50238)
(4S,7R)-4-isopropenyl-7-methyloxepan-2-one (CHEBI:233) is a 4-isopropenyl-7-methyloxepan-2-one (CHEBI:50238)
IUPAC Name 
7-methyl-4-(prop-1-en-2-yl)oxepan-2-one
Synonyms  Source
7-methyl-4-(1-methylethenyl)oxepan-2-oneChEBI
7-methyl-4-(1-methylethen-1-yl)oxepan-2-oneIUPAC
UniProt Name  Source
4-isopropenyl-7-methyloxepan-2-oneUniProt