3-(5-butyl-1,3-dioxan-2-yl)butan-2-yl pentanoate

Systemtic Name: 3-(5-butyl-1,3-dioxan-2-yl)butan-2-yl pentanoate Openeye Name: [2-(5-butyl-1,3-dioxan-2-yl)-1-methyl-propyl] pentanoate CAS Name: pentanoic acid 3-(5-butyl-1,3-dioxan-2-yl)butan-2-yl ester IUPAC Name: 3-(5-butyl-1,3-dioxan-2-yl)butan-2-yl pentanoate Traditional Name: valeric acid [2-(5-butyl-1,3-dioxan-2-yl)-1-methyl-propyl] ester Formula: C17H32O4 MolecularWeight: 300.43358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1COC(OC1)C(C)C(C)OC(=O)CCCC

Isomeric SMILES

CCCCC1COC(OC1)C(C)C(C)OC(=O)CCCC

InChI

InChI=1S/C17H32O4/c1-5-7-9-15-11-19-17(20-12-15)13(3)14(4)21-16(18)10-8-6-2/h13-15,17H,5-12H2,1-4H3