(6,6-dimethyl-5-methylidene-hept-3-yn-2-yl) ethanoate

Systemtic Name: (6,6-dimethyl-5-methylidene-hept-3-yn-2-yl) ethanoate Openeye Name: (1,5,5-trimethyl-4-methylene-hex-2-ynyl) acetate CAS Name: acetic acid (6,6-dimethyl-5-methylenehept-3-yn-2-yl) ester IUPAC Name: (6,6-dimethyl-5-methylidenehept-3-yn-2-yl) acetate Traditional Name: acetic acid (4-tert-butyl-1-methyl-pent-4-en-2-ynyl) ester Formula: C12H18O2 MolecularWeight: 194.27012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC(=C)C(C)(C)C)OC(=O)C

Isomeric SMILES

CC(C#CC(=C)C(C)(C)C)OC(=O)C

InChI

InChI=1S/C12H18O2/c1-9(12(4,5)6)7-8-10(2)14-11(3)13/h10H,1H2,2-6H3