3-methylbutanal; pentanal

Systemtic Name: 3-methylbutanal; pentanal Openeye Name: 3-methylbutanal; pentanal CAS Name: 3-methylbutanal; pentanal IUPAC Name: 3-methylbutanal; pentanal Traditional Name: 3-methylbutyraldehyde; valeraldehyde Formula: C10H20O2 MolecularWeight: 172.2646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=O.CC(C)CC=O

Isomeric SMILES

CCCCC=O.CC(C)CC=O

InChI

InChI=1S/2C5H10O/c1-5(2)3-4-6;1-2-3-4-5-6/h4-5H,3H2,1-2H3;5H,2-4H2,1H3