[4-(5-methyl-2-pentyl-1,3-dioxan-5-yl)cyclohexyl] butanoate

Systemtic Name: [4-(5-methyl-2-pentyl-1,3-dioxan-5-yl)cyclohexyl] butanoate Openeye Name: [4-(5-methyl-2-pentyl-1,3-dioxan-5-yl)cyclohexyl] butanoate CAS Name: butanoic acid [4-(5-methyl-2-pentyl-1,3-dioxan-5-yl)cyclohexyl] ester IUPAC Name: [4-(5-methyl-2-pentyl-1,3-dioxan-5-yl)cyclohexyl] butanoate Traditional Name: butyric acid [4-(2-amyl-5-methyl-1,3-dioxan-5-yl)cyclohexyl] ester Formula: C20H36O4 MolecularWeight: 340.49744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1OCC(CO1)(C)C2CCC(CC2)OC(=O)CCC

Isomeric SMILES

CCCCCC1OCC(CO1)(C)C2CCC(CC2)OC(=O)CCC

InChI

InChI=1S/C20H36O4/c1-4-6-7-9-19-22-14-20(3,15-23-19)16-10-12-17(13-11-16)24-18(21)8-5-2/h16-17,19H,4-15H2,1-3H3