1-[3-(hydroxymethyl)-5-oxidanyl-2,3-dihydrofuran-4-yl]-6-methyl-heptan-1-one

Systemtic Name: 1-[3-(hydroxymethyl)-5-oxidanyl-2,3-dihydrofuran-4-yl]-6-methyl-heptan-1-one Openeye Name: 1-[5-hydroxy-3-(hydroxymethyl)-2,3-dihydrofuran-4-yl]-6-methyl-heptan-1-one CAS Name: 1-[5-hydroxy-3-(hydroxymethyl)-2,3-dihydrofuran-4-yl]-6-methyl-1-heptanone IUPAC Name: 1-[5-hydroxy-3-(hydroxymethyl)-2,3-dihydrofuran-4-yl]-6-methylheptan-1-one Traditional Name: 1-(5-hydroxy-3-methylol-2,3-dihydrofuran-4-yl)-6-methyl-heptan-1-one Formula: C13H22O4 MolecularWeight: 242.31138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCC(=O)C1=C(OCC1CO)O

Isomeric SMILES

CC(C)CCCCC(=O)C1=C(OCC1CO)O

InChI

InChI=1S/C13H22O4/c1-9(2)5-3-4-6-11(15)12-10(7-14)8-17-13(12)16/h9-10,14,16H,3-8H2,1-2H3