3-[5-ethyl-5-(hydroxymethyl)-1,3-dioxan-2-yl]-3-methyl-butanoic acid

Systemtic Name: 3-[5-ethyl-5-(hydroxymethyl)-1,3-dioxan-2-yl]-3-methyl-butanoic acid Openeye Name: 3-[5-ethyl-5-(hydroxymethyl)-1,3-dioxan-2-yl]-3-methyl-butanoic acid CAS Name: 3-[5-ethyl-5-(hydroxymethyl)-1,3-dioxan-2-yl]-3-methylbutanoic acid IUPAC Name: 3-[5-ethyl-5-(hydroxymethyl)-1,3-dioxan-2-yl]-3-methylbutanoic acid Traditional Name: 3-(5-ethyl-5-methylol-1,3-dioxan-2-yl)-3-methyl-butyric acid Formula: C12H22O5 MolecularWeight: 246.30008

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(COC(OC1)C(C)(C)CC(=O)O)CO

Isomeric SMILES

CCC1(COC(OC1)C(C)(C)CC(=O)O)CO

InChI

InChI=1S/C12H22O5/c1-4-12(6-13)7-16-10(17-8-12)11(2,3)5-9(14)15/h10,13H,4-8H2,1-3H3,(H,14,15)