2-butyl-2-hexyl-4,4-dimethyl-pentane-1,3-diol

Systemtic Name: 2-butyl-2-hexyl-4,4-dimethyl-pentane-1,3-diol Openeye Name: 2-butyl-2-hexyl-4,4-dimethyl-pentane-1,3-diol CAS Name: 2-butyl-2-hexyl-4,4-dimethylpentane-1,3-diol IUPAC Name: 2-butyl-2-hexyl-4,4-dimethylpentane-1,3-diol Traditional Name: 2-butyl-2-hexyl-4,4-dimethyl-pentane-1,3-diol Formula: C17H36O2 MolecularWeight: 272.46654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H36O2/c1-6-8-10-11-13-17(14-18,12-9-7-2)15(19)16(3,4)5/h15,18-19H,6-14H2,1-5H3