[2,2-bis(hydroxymethyl)-3-oxidanyl-propyl] octanoate

Systemtic Name: [2,2-bis(hydroxymethyl)-3-oxidanyl-propyl] octanoate Openeye Name: [3-hydroxy-2,2-bis(hydroxymethyl)propyl] octanoate CAS Name: octanoic acid [3-hydroxy-2,2-bis(hydroxymethyl)propyl] ester IUPAC Name: [3-hydroxy-2,2-bis(hydroxymethyl)propyl] octanoate Traditional Name: caprylic acid (3-hydroxy-2,2-dimethylol-propyl) ester Formula: C13H26O5 MolecularWeight: 262.34254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC(CO)(CO)CO

Isomeric SMILES

CCCCCCCC(=O)OCC(CO)(CO)CO

InChI

InChI=1S/C13H26O5/c1-2-3-4-5-6-7-12(17)18-11-13(8-14,9-15)10-16/h14-16H,2-11H2,1H3