5-oxidanylhexan-2-yl 3-methylbutanoate

Systemtic Name: 5-oxidanylhexan-2-yl 3-methylbutanoate Openeye Name: (4-hydroxy-1-methyl-pentyl) 3-methylbutanoate CAS Name: 3-methylbutanoic acid 5-hydroxyhexan-2-yl ester IUPAC Name: 5-hydroxyhexan-2-yl 3-methylbutanoate Traditional Name: 3-methylbutyric acid (4-hydroxy-1-methyl-pentyl) ester Formula: C11H22O3 MolecularWeight: 202.29058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H22O3/c1-8(2)7-11(13)14-10(4)6-5-9(3)12/h8-10,12H,5-7H2,1-4H3