(E)-1-(1,2,2-trimethylcyclohexyl)but-2-en-1-one

Systemtic Name: (E)-1-(1,2,2-trimethylcyclohexyl)but-2-en-1-one Openeye Name: (E)-1-(1,2,2-trimethylcyclohexyl)but-2-en-1-one CAS Name: (E)-1-(1,2,2-trimethylcyclohexyl)-2-buten-1-one IUPAC Name: (E)-1-(1,2,2-trimethylcyclohexyl)but-2-en-1-one Traditional Name: (E)-1-(1,2,2-trimethylcyclohexyl)but-2-en-1-one Formula: C13H22O MolecularWeight: 194.31318

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)C1(CCCCC1(C)C)C

Isomeric SMILES

C/C=C/C(=O)C1(CCCCC1(C)C)C

InChI

InChI=1S/C13H22O/c1-5-8-11(14)13(4)10-7-6-9-12(13,2)3/h5,8H,6-7,9-10H2,1-4H3/b8-5+