2-methyloct-5-yn-4-yl pentanoate

Systemtic Name: 2-methyloct-5-yn-4-yl pentanoate Openeye Name: 1-isobutylpent-2-ynyl pentanoate CAS Name: pentanoic acid 2-methyloct-5-yn-4-yl ester IUPAC Name: 2-methyloct-5-yn-4-yl pentanoate Traditional Name: valeric acid 1-isobutylpent-2-ynyl ester Formula: C14H24O2 MolecularWeight: 224.33916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H24O2/c1-5-7-9-13(11-12(3)4)16-14(15)10-8-6-2/h12-13H,5-6,8,10-11H2,1-4H3