octane; 2,2,4-trimethylpentane-1,5-diol

Systemtic Name: octane; 2,2,4-trimethylpentane-1,5-diol Openeye Name: octane; 2,2,4-trimethylpentane-1,5-diol CAS Name: octane; 2,2,4-trimethylpentane-1,5-diol IUPAC Name: octane; 2,2,4-trimethylpentane-1,5-diol Traditional Name: n-octane; 2,2,4-trimethylpentane-1,5-diol Formula: C16H36O2 MolecularWeight: 260.45584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC.CC(CC(C)(C)CO)CO

Isomeric SMILES

CCCCCCCC.CC(CC(C)(C)CO)CO

InChI

InChI=1S/C8H18O2.C8H18/c1-7(5-9)4-8(2,3)6-10;1-3-5-7-8-6-4-2/h7,9-10H,4-6H2,1-3H3;3-8H2,1-2H3