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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26O2/c1-8-9-13(4)14(11-10-12(2)3)18-15(17)16(5,6)7/h13-14H,2,8-9H2,1,3-7H3