prop-2-enyl 3,5,5-trimethylhexanoate

Systemtic Name: prop-2-enyl 3,5,5-trimethylhexanoate Openeye Name: allyl 3,5,5-trimethylhexanoate CAS Name: 3,5,5-trimethylhexanoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 3,5,5-trimethylhexanoate Traditional Name: 3,5,5-trimethylhexanoic acid allyl ester Formula: C12H22O2 MolecularWeight: 198.30188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OCC=C)CC(C)(C)C

Isomeric SMILES

CC(CC(=O)OCC=C)CC(C)(C)C

InChI

InChI=1S/C12H22O2/c1-6-7-14-11(13)8-10(2)9-12(3,4)5/h6,10H,1,7-9H2,2-5H3