3,3,4-trimethyloxepan-2-one

Systemtic Name: 3,3,4-trimethyloxepan-2-one Openeye Name: 3,3,4-trimethyloxepan-2-one CAS Name: 3,3,4-trimethyl-2-oxepanone IUPAC Name: 3,3,4-trimethyloxepan-2-one Traditional Name: 3,3,4-trimethyloxepan-2-one Formula: C9H16O2 MolecularWeight: 156.22214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCOC(=O)C1(C)C

Isomeric SMILES

CC1CCCOC(=O)C1(C)C

InChI

InChI=1S/C9H16O2/c1-7-5-4-6-11-8(10)9(7,2)3/h7H,4-6H2,1-3H3