Bicyclo[2.2.2]oct-5-en-2-one structure

Bicyclo[2.2.2]oct-5-en-2-one

bicyclo[2.2.2]oct-5-en-2-one

Also Known As: Bicyclo[2.2.2]oct-5-en-2-one|Pentapheno|Bicyclo[2.2.2]octenone|bicyclo[2.2.2]oct-2-en-5-one|Bicyclo(2.2.2)octenone|Bicyclo(2.2.2)oct-5-en-2-one|Bicyclo[2.2.2]oct-5-ene-2-one|bicyclo[2,2,2]oct-5-en-2-one|bicyclo[2.2.2]oct-7-en-6-one|Bicyclo(2.2.2)oct-5-ene-2-one|(+)-bicyclo[2.2.2]oct-5-en-2-one|rac-(1R*,4R*)-bicyclo[2.2.2]oct-5-en-2-one|I14-10178

CAS: 2220-40-8
Molecular Formula C1CC2C=CC1CC2=O
Molecular Weight 122.073166 g/mol
LogP 1.3
Topological Polar Surface Area 17.1 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
Rotatable Bonds 0
Exact Mass 122.073166
Monoisotopic Mass 122.073166
Heavy Atoms 9
Complexity 169.0

Chemical Identifiers

CAS Number 2220-40-8
SMILES C1CC2C=CC1CC2=O
InChIKey UJVGEBBKXJLFPB-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.

Agrochemicals (1 patents) Catalysts (1 patents) Food Additives (1 patents) Heterocyclic Building Blocks (27 patents) Organic Building Blocks (24 patents) Organometallic Reagents (1 patents) Pharmaceutical Intermediates (9 patents) Surfactants & Detergents (2 patents)

Product Overview

Bicyclo[2.2.2]oct-5-en-2-one (CAS 2220-40-8), with molecular formula C1CC2C=CC1CC2=O and molecular weight 122.073166 g/mol. IUPAC: bicyclo[2.2.2]oct-5-en-2-one.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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