3-(3-methylbutyl)hept-6-yn-2-one

Systemtic Name: 3-(3-methylbutyl)hept-6-yn-2-one Openeye Name: 3-isopentylhept-6-yn-2-one CAS Name: 3-(3-methylbutyl)-6-heptyn-2-one IUPAC Name: 3-(3-methylbutyl)hept-6-yn-2-one Traditional Name: 3-isoamylhept-6-yn-2-one Formula: C12H20O MolecularWeight: 180.2866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CCC#C)C(=O)C

Isomeric SMILES

CC(C)CCC(CCC#C)C(=O)C

InChI

InChI=1S/C12H20O/c1-5-6-7-12(11(4)13)9-8-10(2)3/h1,10,12H,6-9H2,2-4H3