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

Systemtic Name: 2,7-dimethyloct-7-en-5-yn-4-yl butanoate Openeye Name: (1-isobutyl-4-methyl-pent-4-en-2-ynyl) butanoate CAS Name: butanoic acid 2,7-dimethyloct-7-en-5-yn-4-yl ester IUPAC Name: 2,7-dimethyloct-7-en-5-yn-4-yl butanoate Traditional Name: butyric acid (1-isobutyl-4-methyl-pent-4-en-2-ynyl) ester Formula: C14H22O2 MolecularWeight: 222.32328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22O2/c1-6-7-14(15)16-13(10-12(4)5)9-8-11(2)3/h12-13H,2,6-7,10H2,1,3-5H3