2-butyl-3,5,5-trimethyl-cyclohex-2-en-1-one

Systemtic Name: 2-butyl-3,5,5-trimethyl-cyclohex-2-en-1-one Openeye Name: 2-butyl-3,5,5-trimethyl-cyclohex-2-en-1-one CAS Name: 2-butyl-3,5,5-trimethyl-1-cyclohex-2-enone IUPAC Name: 2-butyl-3,5,5-trimethylcyclohex-2-en-1-one Traditional Name: 2-butyl-3,5,5-trimethyl-cyclohex-2-en-1-one Formula: C13H22O MolecularWeight: 194.31318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(CC(CC1=O)(C)C)C

Isomeric SMILES

CCCCC1=C(CC(CC1=O)(C)C)C

InChI

InChI=1S/C13H22O/c1-5-6-7-11-10(2)8-13(3,4)9-12(11)14/h5-9H2,1-4H3