2-methyloct-5-yn-4-yl 5-bromanylpentanoate

Systemtic Name: 2-methyloct-5-yn-4-yl 5-bromanylpentanoate Openeye Name: 1-isobutylpent-2-ynyl 5-bromopentanoate CAS Name: 5-bromopentanoic acid 2-methyloct-5-yn-4-yl ester IUPAC Name: 2-methyloct-5-yn-4-yl 5-bromopentanoate Traditional Name: 5-bromovaleric acid 1-isobutylpent-2-ynyl ester Formula: C14H23BrO2 MolecularWeight: 303.23522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23BrO2/c1-4-5-8-13(11-12(2)3)17-14(16)9-6-7-10-15/h12-13H,4,6-7,9-11H2,1-3H3