3,6-dimethyloct-1-yn-3-yl ethanoate

Systemtic Name: 3,6-dimethyloct-1-yn-3-yl ethanoate Openeye Name: (1-ethynyl-1,4-dimethyl-hexyl) acetate CAS Name: acetic acid 3,6-dimethyloct-1-yn-3-yl ester IUPAC Name: 3,6-dimethyloct-1-yn-3-yl acetate Traditional Name: acetic acid [1-methyl-1-(3-methylpentyl)prop-2-ynyl] ester Formula: C12H20O2 MolecularWeight: 196.286

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCC(C)(C#C)OC(=O)C

Isomeric SMILES

CCC(C)CCC(C)(C#C)OC(=O)C

InChI

InChI=1S/C12H20O2/c1-6-10(3)8-9-12(5,7-2)14-11(4)13/h2,10H,6,8-9H2,1,3-5H3