CHEBI:181453 - 6,6-Dimethylbicyclo[3.1.1]heptan-2-one

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ChEBI Name 6,6-Dimethylbicyclo[3.1.1]heptan-2-one
ChEBI ID CHEBI:181453
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C9H14O
Net Charge 0
Average Mass 138.210
Monoisotopic Mass 138.10447
InChI InChI=1S/C9H14O/c1-9(2)6-3-4-8(10)7(9)5-6/h6-7H,3-5H2,1-2H3
InChIKey XZFDKWMYCUEKSS-UHFFFAOYSA-N
SMILES O=C1C2C(C(C2)CC1)(C)C
ChEBI Ontology
Outgoing 6,6-Dimethylbicyclo[3.1.1]heptan-2-one (CHEBI:181453) is a monoterpenoid (CHEBI:25409)
IUPAC Name
6,6-dimethylbicyclo[3.1.1]heptan-2-one
Manual Xref Database
30341 ChemSpider
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Registry Number Type Source
24903-95-5 CAS Registry Number ChemIDplus