(3-ethynyl-4-methyl-hex-1-yn-3-yl) ethanoate

Systemtic Name: (3-ethynyl-4-methyl-hex-1-yn-3-yl) ethanoate Openeye Name: (1,1-diethynyl-2-methyl-butyl) acetate CAS Name: acetic acid (3-ethynyl-4-methylhex-1-yn-3-yl) ester IUPAC Name: (3-ethynyl-4-methylhex-1-yn-3-yl) acetate Traditional Name: acetic acid (1-ethynyl-1-sec-butyl-prop-2-ynyl) ester Formula: C11H14O2 MolecularWeight: 178.22766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14O2/c1-6-9(4)11(7-2,8-3)13-10(5)12/h2-3,9H,6H2,1,4-5H3