hept-1-ynyl 2,2-dimethylpropanoate

Systemtic Name: hept-1-ynyl 2,2-dimethylpropanoate Openeye Name: hept-1-ynyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid hept-1-ynyl ester IUPAC Name: hept-1-ynyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid hept-1-ynyl ester Formula: C12H20O2 MolecularWeight: 196.286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#COC(=O)C(C)(C)C

Isomeric SMILES

CCCCCC#COC(=O)C(C)(C)C

InChI

InChI=1S/C12H20O2/c1-5-6-7-8-9-10-14-11(13)12(2,3)4/h5-8H2,1-4H3