CHEBI:167369 - 3-Isopropyl-2-methylcyclopentanone

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 3-Isopropyl-2-methylcyclopentanone
ChEBI ID CHEBI:167369
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C9H16O
Net Charge 0
Average Mass 140.226
Monoisotopic Mass 140.12012
InChI InChI=1S/C9H16O/c1-6(2)8-4-5-9(10)7(8)3/h6-8H,4-5H2,1-3H3
InChIKey VWBCFESGRRREEF-UHFFFAOYSA-N
SMILES O=C1C(C(CC1)C(C)C)C
ChEBI Ontology
Outgoing 3-Isopropyl-2-methylcyclopentanone (CHEBI:167369) is a cyclic ketone (CHEBI:3992)
IUPAC Name
2-methyl-3-propan-2-ylcyclopentan-1-one
Manual Xref Database
37536 ChemSpider
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Registry Number Type Source
54549-81-4 CAS Registry Number ChemIDplus