4,4-dimethyloct-1-yn-3-yl ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C(C#C)OC(=O)C

Isomeric SMILES

CCCCC(C)(C)C(C#C)OC(=O)C

InChI

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