4-methylcyclohexene; (E)-3-methylpent-3-en-2-one

Systemtic Name: 4-methylcyclohexene; (E)-3-methylpent-3-en-2-one Openeye Name: 4-methylcyclohexene; (E)-3-methylpent-3-en-2-one CAS Name: 4-methylcyclohexene; (E)-3-methyl-3-penten-2-one IUPAC Name: 4-methylcyclohexene; (E)-3-methylpent-3-en-2-one Traditional Name: 4-methylcyclohexene; (E)-3-methylpent-3-en-2-one Formula: C13H22O MolecularWeight: 194.31318

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C(=O)C.CC1CCC=CC1

Isomeric SMILES

C/C=C(\C)/C(=O)C.CC1CCC=CC1

InChI

InChI=1S/C7H12.C6H10O/c1-7-5-3-2-4-6-7;1-4-5(2)6(3)7/h2-3,7H,4-6H2,1H3;4H,1-3H3/b;5-4+