4-butyl-4-hexyl-2,2,6,6-tetramethyl-heptane-3,5-diol

Systemtic Name: 4-butyl-4-hexyl-2,2,6,6-tetramethyl-heptane-3,5-diol Openeye Name: 4-butyl-4-hexyl-2,2,6,6-tetramethyl-heptane-3,5-diol CAS Name: 4-butyl-4-hexyl-2,2,6,6-tetramethylheptane-3,5-diol IUPAC Name: 4-butyl-4-hexyl-2,2,6,6-tetramethylheptane-3,5-diol Traditional Name: 4-butyl-4-hexyl-2,2,6,6-tetramethyl-heptane-3,5-diol Formula: C21H44O2 MolecularWeight: 328.57286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCC)(C(C(C)(C)C)O)C(C(C)(C)C)O

Isomeric SMILES

CCCCCCC(CCCC)(C(C(C)(C)C)O)C(C(C)(C)C)O

InChI

InChI=1S/C21H44O2/c1-9-11-13-14-16-21(15-12-10-2,17(22)19(3,4)5)18(23)20(6,7)8/h17-18,22-23H,9-16H2,1-8H3