5-methylhexan-2-one; octan-2-one

Systemtic Name: 5-methylhexan-2-one; octan-2-one Openeye Name: 5-methylhexan-2-one; octan-2-one CAS Name: 5-methyl-2-hexanone; 2-octanone IUPAC Name: 5-methylhexan-2-one; octan-2-one Traditional Name: 5-methylhexan-2-one; octan-2-one Formula: C15H30O2 MolecularWeight: 242.3975

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)C.CC(C)CCC(=O)C

Isomeric SMILES

CCCCCCC(=O)C.CC(C)CCC(=O)C

InChI

InChI=1S/C8H16O.C7H14O/c1-3-4-5-6-7-8(2)9;1-6(2)4-5-7(3)8/h3-7H2,1-2H3;6H,4-5H2,1-3H3