5-methylhexanoate; 4-methylpentan-2-one

Systemtic Name: 5-methylhexanoate; 4-methylpentan-2-one Openeye Name: 5-methylhexanoate; 4-methylpentan-2-one CAS Name: 5-methylhexanoate; 4-methyl-2-pentanone IUPAC Name: 5-methylhexanoate; 4-methylpentan-2-one Traditional Name: 5-methylhexanoate; 4-methylpentan-2-one Formula: C13H25O3- MolecularWeight: 229.3358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(=O)[O-].CC(C)CC(=O)C

Isomeric SMILES

CC(C)CCCC(=O)[O-].CC(C)CC(=O)C

InChI

InChI=1S/C7H14O2.C6H12O/c1-6(2)4-3-5-7(8)9;1-5(2)4-6(3)7/h6H,3-5H2,1-2H3,(H,8,9);5H,4H2,1-3H3/p-1