2,2-dimethylpropane-1,3-diol; 2-ethyl-2-methyl-propane-1,3-diol

Systemtic Name: 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-methyl-propane-1,3-diol Openeye Name: 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-methyl-propane-1,3-diol CAS Name: 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-methylpropane-1,3-diol IUPAC Name: 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-methylpropane-1,3-diol Traditional Name: 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-methyl-propane-1,3-diol Formula: C11H26O4 MolecularWeight: 222.32174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CO)CO.CC(C)(CO)CO

Isomeric SMILES

CCC(C)(CO)CO.CC(C)(CO)CO

InChI

InChI=1S/C6H14O2.C5H12O2/c1-3-6(2,4-7)5-8;1-5(2,3-6)4-7/h7-8H,3-5H2,1-2H3;6-7H,3-4H2,1-2H3