oxepan-2-one; 2,2,4-trimethylpentane-1,3-diol

Systemtic Name: oxepan-2-one; 2,2,4-trimethylpentane-1,3-diol Openeye Name: oxepan-2-one; 2,2,4-trimethylpentane-1,3-diol CAS Name: 2-oxepanone; 2,2,4-trimethylpentane-1,3-diol IUPAC Name: oxepan-2-one; 2,2,4-trimethylpentane-1,3-diol Traditional Name: oxepan-2-one; 2,2,4-trimethylpentane-1,3-diol Formula: C14H28O4 MolecularWeight: 260.36972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C)(C)CO)O.C1CCC(=O)OCC1

Isomeric SMILES

CC(C)C(C(C)(C)CO)O.C1CCC(=O)OCC1

InChI

InChI=1S/C8H18O2.C6H10O2/c1-6(2)7(10)8(3,4)5-9;7-6-4-2-1-3-5-8-6/h6-7,9-10H,5H2,1-4H3;1-5H2