5-oxidanylheptan-2-yl ethanoate

Systemtic Name: 5-oxidanylheptan-2-yl ethanoate Openeye Name: (4-hydroxy-1-methyl-hexyl) acetate CAS Name: acetic acid 5-hydroxyheptan-2-yl ester IUPAC Name: 5-hydroxyheptan-2-yl acetate Traditional Name: acetic acid (4-hydroxy-1-methyl-hexyl) ester Formula: C9H18O3 MolecularWeight: 174.23742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(C)OC(=O)C)O

Isomeric SMILES

CCC(CCC(C)OC(=O)C)O

InChI

InChI=1S/C9H18O3/c1-4-9(11)6-5-7(2)12-8(3)10/h7,9,11H,4-6H2,1-3H3