2-methyloct-5-yn-4-yl octanoate

Systemtic Name: 2-methyloct-5-yn-4-yl octanoate Openeye Name: 1-isobutylpent-2-ynyl octanoate CAS Name: octanoic acid 2-methyloct-5-yn-4-yl ester IUPAC Name: 2-methyloct-5-yn-4-yl octanoate Traditional Name: caprylic acid 1-isobutylpent-2-ynyl ester Formula: C17H30O2 MolecularWeight: 266.4189

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H30O2/c1-5-7-9-10-11-13-17(18)19-16(12-8-6-2)14-15(3)4/h15-16H,5-7,9-11,13-14H2,1-4H3