CHEBI:50243 - 7-isopropyl-4-methyloxepan-2-one

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ChEBI Name 7-isopropyl-4-methyloxepan-2-one ChEBI ID CHEBI:50243 Definition An ε-lactone that is oxepan-2-one which is substituted at positions 4 and 7 by methyl and isopropyl groups, respectively. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C10H18O2 Net Charge 0 Average Mass 170.24872 Monoisotopic Mass 170.13068 InChI InChI=1S/C10H18O2/c1-7(2)9-5-4-8(3)6-10(11)12-9/h7-9H,4-6H2,1-3H3 InChIKey GGAXPLCKKANQED-UHFFFAOYSA-N SMILES CC1CCC(OC(=O)C1)C(C)C ChEBI Ontology Outgoing 7-isopropyl-4-methyloxepan-2-one (CHEBI:50243) is a ε-lactone (CHEBI:50239) Incoming (4R,7R)-7-isopropyl-4-methyloxepan-2-one (CHEBI:50251) is a 7-isopropyl-4-methyloxepan-2-one (CHEBI:50243) (4R,7S)-7-isopropyl-4-methyloxepan-2-one (CHEBI:50250) is a 7-isopropyl-4-methyloxepan-2-one (CHEBI:50243) (4S,7R)-7-isopropyl-4-methyloxepan-2-one (CHEBI:138383) is a 7-isopropyl-4-methyloxepan-2-one (CHEBI:50243) IUPAC Name 4-methyl-7-(propan-2-yl)oxepan-2-one Synonyms Sources 4-methyl-7-(1-methylethyl)-2-oxepanone ChemIDplus 4-methyl-7-(1-methylethyl)oxepan-2-one IUPAC 4-methyl-7-isopropyl-2-oxepanone ChemIDplus 6-hydroxy-3,7-dimethylcaprylic acid ε-lactone ChemIDplus 6-hydroxy-3,7-dimethyloctanoic acid lactone ChemIDplus 7-isopropyl-4-methyloxepan-2-one UniProt Manual Xrefs Databases 7-isopropyl-4-methyloxepan-2-ones MetaCyc C18066 KEGG COMPOUND View more database links Registry Numbers Types Sources 499-54-7 CAS Registry Number ChemIDplus 81481 Beilstein Registry Number Beilstein Last Modified 06 September 2017