2-butan-2-yl-3-methyl-6-(2-oxidanylpropyl)pyran-4-one

Systemtic Name: 2-butan-2-yl-3-methyl-6-(2-oxidanylpropyl)pyran-4-one Openeye Name: 6-(2-hydroxypropyl)-3-methyl-2-sec-butyl-pyran-4-one CAS Name: 2-butan-2-yl-6-(2-hydroxypropyl)-3-methyl-4-pyranone IUPAC Name: 2-butan-2-yl-6-(2-hydroxypropyl)-3-methylpyran-4-one Traditional Name: 6-(2-hydroxypropyl)-3-methyl-2-sec-butyl-pyran-4-one Formula: C13H20O3 MolecularWeight: 224.2961

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C(C(=O)C=C(O1)CC(C)O)C

Isomeric SMILES

CCC(C)C1=C(C(=O)C=C(O1)CC(C)O)C

InChI

InChI=1S/C13H20O3/c1-5-8(2)13-10(4)12(15)7-11(16-13)6-9(3)14/h7-9,14H,5-6H2,1-4H3