3-methylbutanal; 4-methylpentan-2-one

Systemtic Name: 3-methylbutanal; 4-methylpentan-2-one Openeye Name: 3-methylbutanal; 4-methylpentan-2-one CAS Name: 3-methylbutanal; 4-methyl-2-pentanone IUPAC Name: 3-methylbutanal; 4-methylpentan-2-one Traditional Name: 3-methylbutyraldehyde; 4-methylpentan-2-one Formula: C11H22O2 MolecularWeight: 186.29118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC=O.CC(C)CC(=O)C

Isomeric SMILES

CC(C)CC=O.CC(C)CC(=O)C

InChI

InChI=1S/C6H12O.C5H10O/c1-5(2)4-6(3)7;1-5(2)3-4-6/h5H,4H2,1-3H3;4-5H,3H2,1-2H3