hept-1-en-3-one; hex-1-en-3-one; 4-methylpent-1-en-3-one

Systemtic Name: hept-1-en-3-one; hex-1-en-3-one; 4-methylpent-1-en-3-one Openeye Name: hept-1-en-3-one; hex-1-en-3-one; 4-methylpent-1-en-3-one CAS Name: 1-hepten-3-one; 1-hexen-3-one; 4-methyl-1-penten-3-one IUPAC Name: hept-1-en-3-one; hex-1-en-3-one; 4-methylpent-1-en-3-one Traditional Name: hept-1-en-3-one; hex-1-en-3-one; 4-methylpent-1-en-3-one Formula: C19H32O3 MolecularWeight: 308.45558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C=C.CCCC(=O)C=C.CC(C)C(=O)C=C

Isomeric SMILES

CCCCC(=O)C=C.CCCC(=O)C=C.CC(C)C(=O)C=C

InChI

InChI=1S/C7H12O.2C6H10O/c1-3-5-6-7(8)4-2;1-4-6(7)5(2)3;1-3-5-6(7)4-2/h4H,2-3,5-6H2,1H3;4-5H,1H2,2-3H3;4H,2-3,5H2,1H3