2,2-dimethylpropane-1,3-diol; ethyl hexanoate

Systemtic Name: 2,2-dimethylpropane-1,3-diol; ethyl hexanoate Openeye Name: 2,2-dimethylpropane-1,3-diol; ethyl hexanoate CAS Name: 2,2-dimethylpropane-1,3-diol; hexanoic acid ethyl ester IUPAC Name: 2,2-dimethylpropane-1,3-diol; ethyl hexanoate Traditional Name: 2,2-dimethylpropane-1,3-diol; hexanoic acid ethyl ester Formula: C13H28O4 MolecularWeight: 248.35902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OCC.CC(C)(CO)CO

Isomeric SMILES

CCCCCC(=O)OCC.CC(C)(CO)CO

InChI

InChI=1S/C8H16O2.C5H12O2/c1-3-5-6-7-8(9)10-4-2;1-5(2,3-6)4-7/h3-7H2,1-2H3;6-7H,3-4H2,1-2H3