2,7-dimethyloct-7-en-5-yn-4-yl octanoate

Systemtic Name: 2,7-dimethyloct-7-en-5-yn-4-yl octanoate Openeye Name: (1-isobutyl-4-methyl-pent-4-en-2-ynyl) octanoate CAS Name: octanoic acid 2,7-dimethyloct-7-en-5-yn-4-yl ester IUPAC Name: 2,7-dimethyloct-7-en-5-yn-4-yl octanoate Traditional Name: caprylic acid (1-isobutyl-4-methyl-pent-4-en-2-ynyl) ester Formula: C18H30O2 MolecularWeight: 278.4296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30O2/c1-6-7-8-9-10-11-18(19)20-17(14-16(4)5)13-12-15(2)3/h16-17H,2,6-11,14H2,1,3-5H3