6-(1,3-dioxan-2-yl)-2-methyl-octanoic acid

Systemtic Name: 6-(1,3-dioxan-2-yl)-2-methyl-octanoic acid Openeye Name: 6-(1,3-dioxan-2-yl)-2-methyl-octanoic acid CAS Name: 6-(1,3-dioxan-2-yl)-2-methyloctanoic acid IUPAC Name: 6-(1,3-dioxan-2-yl)-2-methyloctanoic acid Traditional Name: 6-(1,3-dioxan-2-yl)-2-methyl-caprylic acid Formula: C13H24O4 MolecularWeight: 244.32726

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCC(C)C(=O)O)C1OCCCO1

Isomeric SMILES

CCC(CCCC(C)C(=O)O)C1OCCCO1

InChI

InChI=1S/C13H24O4/c1-3-11(13-16-8-5-9-17-13)7-4-6-10(2)12(14)15/h10-11,13H,3-9H2,1-2H3,(H,14,15)