[2-butyl-2-(hydroxymethyl)hexyl] ethanoate

Systemtic Name: [2-butyl-2-(hydroxymethyl)hexyl] ethanoate Openeye Name: [2-butyl-2-(hydroxymethyl)hexyl] acetate CAS Name: acetic acid [2-butyl-2-(hydroxymethyl)hexyl] ester IUPAC Name: [2-butyl-2-(hydroxymethyl)hexyl] acetate Traditional Name: acetic acid (2-butyl-2-methylol-hexyl) ester Formula: C13H26O3 MolecularWeight: 230.34374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)(CO)COC(=O)C

Isomeric SMILES

CCCCC(CCCC)(CO)COC(=O)C

InChI

InChI=1S/C13H26O3/c1-4-6-8-13(10-14,9-7-5-2)11-16-12(3)15/h14H,4-11H2,1-3H3