3,3-dimethyloxolan-2-one; hydroxymethyl 2,2-dimethylpropanoate

Systemtic Name: 3,3-dimethyloxolan-2-one; hydroxymethyl 2,2-dimethylpropanoate Openeye Name: 3,3-dimethyltetrahydrofuran-2-one; hydroxymethyl 2,2-dimethylpropanoate CAS Name: 3,3-dimethyl-2-oxolanone; 2,2-dimethylpropanoic acid hydroxymethyl ester IUPAC Name: 3,3-dimethyloxolan-2-one; hydroxymethyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid methylol ester; 3,3-dimethyltetrahydrofuran-2-one Formula: C12H22O5 MolecularWeight: 246.30008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCOC1=O)C.CC(C)(C)C(=O)OCO

Isomeric SMILES

CC1(CCOC1=O)C.CC(C)(C)C(=O)OCO

InChI

InChI=1S/C6H12O3.C6H10O2/c1-6(2,3)5(8)9-4-7;1-6(2)3-4-8-5(6)7/h7H,4H2,1-3H3;3-4H2,1-2H3