3-methylhex-1-yn-3-yl ethanoate

Systemtic Name: 3-methylhex-1-yn-3-yl ethanoate Openeye Name: (1-ethynyl-1-methyl-butyl) acetate CAS Name: acetic acid 3-methylhex-1-yn-3-yl ester IUPAC Name: 3-methylhex-1-yn-3-yl acetate Traditional Name: acetic acid (1-methyl-1-propyl-prop-2-ynyl) ester Formula: C9H14O2 MolecularWeight: 154.20626

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C#C)OC(=O)C

Isomeric SMILES

CCCC(C)(C#C)OC(=O)C

InChI

InChI=1S/C9H14O2/c1-5-7-9(4,6-2)11-8(3)10/h2H,5,7H2,1,3-4H3