(2,2,4-trimethyl-3-oxidanyl-pentyl) 2-methylpropanoate; 2,2,4-trimethylpentane-1,3-diol

Systemtic Name: (2,2,4-trimethyl-3-oxidanyl-pentyl) 2-methylpropanoate; 2,2,4-trimethylpentane-1,3-diol Openeye Name: (3-hydroxy-2,2,4-trimethyl-pentyl) 2-methylpropanoate; 2,2,4-trimethylpentane-1,3-diol CAS Name: 2-methylpropanoic acid (3-hydroxy-2,2,4-trimethylpentyl) ester; 2,2,4-trimethylpentane-1,3-diol IUPAC Name: (3-hydroxy-2,2,4-trimethylpentyl) 2-methylpropanoate; 2,2,4-trimethylpentane-1,3-diol Traditional Name: 2-methylpropionic acid (3-hydroxy-2,2,4-trimethyl-pentyl) ester; 2,2,4-trimethylpentane-1,3-diol Formula: C20H42O5 MolecularWeight: 362.54448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H24O3.C8H18O2/c1-8(2)10(13)12(5,6)7-15-11(14)9(3)4;1-6(2)7(10)8(3,4)5-9/h8-10,13H,7H2,1-6H3;6-7,9-10H,5H2,1-4H3