hexan-2-yl (E)-hept-5-enoate

Systemtic Name: hexan-2-yl (E)-hept-5-enoate Openeye Name: 1-methylpentyl (E)-hept-5-enoate CAS Name: (E)-5-heptenoic acid hexan-2-yl ester IUPAC Name: hexan-2-yl (E)-hept-5-enoate Traditional Name: (E)-hept-5-enoic acid 1-methylpentyl ester Formula: C13H24O2 MolecularWeight: 212.32846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC(C)OC(=O)CCC/C=C/C

InChI

InChI=1S/C13H24O2/c1-4-6-8-9-11-13(14)15-12(3)10-7-5-2/h4,6,12H,5,7-11H2,1-3H3/b6-4+