3-(hydroxymethyl)heptan-4-yl 2-methylpropanoate

Systemtic Name: 3-(hydroxymethyl)heptan-4-yl 2-methylpropanoate Openeye Name: [2-(hydroxymethyl)-1-propyl-butyl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid 3-(hydroxymethyl)heptan-4-yl ester IUPAC Name: 3-(hydroxymethyl)heptan-4-yl 2-methylpropanoate Traditional Name: 2-methylpropionic acid (2-methylol-1-propyl-butyl) ester Formula: C12H24O3 MolecularWeight: 216.31716

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC)CO)OC(=O)C(C)C

Isomeric SMILES

CCCC(C(CC)CO)OC(=O)C(C)C

InChI

InChI=1S/C12H24O3/c1-5-7-11(10(6-2)8-13)15-12(14)9(3)4/h9-11,13H,5-8H2,1-4H3