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CHEBI:233 - (4S,7R)-4-isopropenyl-7-methyloxepan-2-one

ChEBI IDCHEBI:233
ChEBI Name(4S,7R)-4-isopropenyl-7-methyloxepan-2-one
Stars
ASCII Name(4S,7R)-4-isopropenyl-7-methyloxepan-2-one
DefinitionThe (4S,7R)-stereoisomer of 4-isopropenyl-7-methyloxepan-2-one.
Last Modified29 January 2015
DownloadsMolfile
FormulaC10H16O2
Net Charge0
Average Mass168.236
Monoisotopic Mass168.11503
SMILESC=C(C)[C@H]1CC[C@@H](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/t8-,9+/m1/s1
InChIKeyDNWZWUWUDAGNJB-BDAKNGLRSA-N
ChEBI Ontology
Outgoing Relation(s)
(4S,7R)-4-isopropenyl-7-methyloxepan-2-one (CHEBI:233) is a 4-isopropenyl-7-methyloxepan-2-one (CHEBI:50238)
IUPAC Name 
(4S,7R)-7-methyl-4-(prop-1-en-2-yl)oxepan-2-one
Synonyms  Source
(4S,7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanoneKEGG COMPOUND
(4S,7R)-7-methyl-4-(1-methylethenyl)oxepan-2-oneChEBI
(4S,7R)-7-methyl-4-(1-methylethen-1-yl)oxepan-2-oneIUPAC
4-Isopropenyl-7-methyloxepan-2-oneKEGG COMPOUND
UniProt Name  Source
(4S,7R)-4-isopropenyl-7-methyloxepan-2-oneUniProt
Manual XrefsDatabases
C11414KEGG COMPOUND
Registry NumbersSources
Reaxys:11141201Reaxys