3,5-dimethyl-4-pentan-2-yl-oxan-2-one

Systemtic Name: 3,5-dimethyl-4-pentan-2-yl-oxan-2-one Openeye Name: 3,5-dimethyl-4-(1-methylbutyl)tetrahydropyran-2-one CAS Name: 3,5-dimethyl-4-pentan-2-yl-2-oxanone IUPAC Name: 3,5-dimethyl-4-pentan-2-yloxan-2-one Traditional Name: 3,5-dimethyl-4-(1-methylbutyl)tetrahydropyran-2-one Formula: C12H22O2 MolecularWeight: 198.30188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1C(COC(=O)C1C)C

Isomeric SMILES

CCCC(C)C1C(COC(=O)C1C)C

InChI

InChI=1S/C12H22O2/c1-5-6-8(2)11-9(3)7-14-12(13)10(11)4/h8-11H,5-7H2,1-4H3