(2,2,4-trimethyl-3-oxidanyl-pentyl) 2-methylbutanoate

Systemtic Name: (2,2,4-trimethyl-3-oxidanyl-pentyl) 2-methylbutanoate Openeye Name: (3-hydroxy-2,2,4-trimethyl-pentyl) 2-methylbutanoate CAS Name: 2-methylbutanoic acid (3-hydroxy-2,2,4-trimethylpentyl) ester IUPAC Name: (3-hydroxy-2,2,4-trimethylpentyl) 2-methylbutanoate Traditional Name: 2-methylbutyric acid (3-hydroxy-2,2,4-trimethyl-pentyl) ester Formula: C13H26O3 MolecularWeight: 230.34374

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OCC(C)(C)C(C(C)C)O

Isomeric SMILES

CCC(C)C(=O)OCC(C)(C)C(C(C)C)O

InChI

InChI=1S/C13H26O3/c1-7-10(4)12(15)16-8-13(5,6)11(14)9(2)3/h9-11,14H,7-8H2,1-6H3