2,6-dimethylnon-1-en-3-yn-5-yl pentanoate

Systemtic Name: 2,6-dimethylnon-1-en-3-yn-5-yl pentanoate Openeye Name: [4-methyl-1-(1-methylbutyl)pent-4-en-2-ynyl] pentanoate CAS Name: pentanoic acid 2,6-dimethylnon-1-en-3-yn-5-yl ester IUPAC Name: 2,6-dimethylnon-1-en-3-yn-5-yl pentanoate Traditional Name: valeric acid [4-methyl-1-(1-methylbutyl)pent-4-en-2-ynyl] ester Formula: C16H26O2 MolecularWeight: 250.37644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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