methyl 2-ethylhexanoate; methyl 2-ethyl-2-(hydroxymethyl)hexanoate

Systemtic Name: methyl 2-ethylhexanoate; methyl 2-ethyl-2-(hydroxymethyl)hexanoate Openeye Name: methyl 2-ethylhexanoate; methyl 2-ethyl-2-(hydroxymethyl)hexanoate CAS Name: 2-ethylhexanoic acid methyl ester; 2-ethyl-2-(hydroxymethyl)hexanoic acid methyl ester IUPAC Name: methyl 2-ethylhexanoate; methyl 2-ethyl-2-(hydroxymethyl)hexanoate Traditional Name: 2-ethylhexanoic acid methyl ester; 2-ethyl-2-methylol-hexanoic acid methyl ester Formula: C19H38O5 MolecularWeight: 346.50202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)OC.CCCCC(CC)(CO)C(=O)OC

Isomeric SMILES

CCCCC(CC)C(=O)OC.CCCCC(CC)(CO)C(=O)OC

InChI

InChI=1S/C10H20O3.C9H18O2/c1-4-6-7-10(5-2,8-11)9(12)13-3;1-4-6-7-8(5-2)9(10)11-3/h11H,4-8H2,1-3H3;8H,4-7H2,1-3H3