2-methylhexanal; 5-methylnon-1-yn-4-ol

Systemtic Name: 2-methylhexanal; 5-methylnon-1-yn-4-ol Openeye Name: 2-methylhexanal; 5-methylnon-1-yn-4-ol CAS Name: 2-methylhexanal; 5-methyl-1-nonyn-4-ol IUPAC Name: 2-methylhexanal; 5-methylnon-1-yn-4-ol Traditional Name: 2-methylhexanal; 5-methylnon-1-yn-4-ol Formula: C17H32O2 MolecularWeight: 268.43478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H18O.C7H14O/c1-4-6-8-9(3)10(11)7-5-2;1-3-4-5-7(2)6-8/h2,9-11H,4,6-8H2,1,3H3;6-7H,3-5H2,1-2H3