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

Systemtic Name: 2,7-dimethyloct-7-en-5-yn-4-yl hexanoate Openeye Name: (1-isobutyl-4-methyl-pent-4-en-2-ynyl) hexanoate CAS Name: hexanoic acid 2,7-dimethyloct-7-en-5-yn-4-yl ester IUPAC Name: 2,7-dimethyloct-7-en-5-yn-4-yl hexanoate Traditional Name: hexanoic acid (1-isobutyl-4-methyl-pent-4-en-2-ynyl) ester Formula: C16H26O2 MolecularWeight: 250.37644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26O2/c1-6-7-8-9-16(17)18-15(12-14(4)5)11-10-13(2)3/h14-15H,2,6-9,12H2,1,3-5H3