4-(hydroxymethyl)-3-(6-methylheptanoyl)oxolan-2-one

Systemtic Name: 4-(hydroxymethyl)-3-(6-methylheptanoyl)oxolan-2-one Openeye Name: 4-(hydroxymethyl)-3-(6-methylheptanoyl)tetrahydrofuran-2-one CAS Name: 4-(hydroxymethyl)-3-(6-methyl-1-oxoheptyl)-2-oxolanone IUPAC Name: 4-(hydroxymethyl)-3-(6-methylheptanoyl)oxolan-2-one Traditional Name: 3-(6-methylheptanoyl)-4-methylol-tetrahydrofuran-2-one Formula: C13H22O4 MolecularWeight: 242.31138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCC(=O)C1C(COC1=O)CO

Isomeric SMILES

CC(C)CCCCC(=O)C1C(COC1=O)CO

InChI

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