2,2-dimethylpropane-1,3-diol; 3,5,5-trimethylhexanoic acid

Systemtic Name: 2,2-dimethylpropane-1,3-diol; 3,5,5-trimethylhexanoic acid Openeye Name: 2,2-dimethylpropane-1,3-diol; 3,5,5-trimethylhexanoic acid CAS Name: 2,2-dimethylpropane-1,3-diol; 3,5,5-trimethylhexanoic acid IUPAC Name: 2,2-dimethylpropane-1,3-diol; 3,5,5-trimethylhexanoic acid Traditional Name: 2,2-dimethylpropane-1,3-diol; 3,5,5-trimethylhexanoic acid Formula: C14H30O4 MolecularWeight: 262.3856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H18O2.C5H12O2/c1-7(5-8(10)11)6-9(2,3)4;1-5(2,3-6)4-7/h7H,5-6H2,1-4H3,(H,10,11);6-7H,3-4H2,1-2H3