2,2-dimethylpropane-1,3-diol; oxepan-2-one

Systemtic Name: 2,2-dimethylpropane-1,3-diol; oxepan-2-one Openeye Name: 2,2-dimethylpropane-1,3-diol; oxepan-2-one CAS Name: 2,2-dimethylpropane-1,3-diol; 2-oxepanone IUPAC Name: 2,2-dimethylpropane-1,3-diol; oxepan-2-one Traditional Name: 2,2-dimethylpropane-1,3-diol; oxepan-2-one Formula: C11H22O4 MolecularWeight: 218.28998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)CO.C1CCC(=O)OCC1

Isomeric SMILES

CC(C)(CO)CO.C1CCC(=O)OCC1

InChI

InChI=1S/C6H10O2.C5H12O2/c7-6-4-2-1-3-5-8-6;1-5(2,3-6)4-7/h1-5H2;6-7H,3-4H2,1-2H3