5-methyl-2-pentyl-1,3-dioxane-5-carboxylic acid

Systemtic Name: 5-methyl-2-pentyl-1,3-dioxane-5-carboxylic acid Openeye Name: 5-methyl-2-pentyl-1,3-dioxane-5-carboxylic acid CAS Name: 5-methyl-2-pentyl-1,3-dioxane-5-carboxylic acid IUPAC Name: 5-methyl-2-pentyl-1,3-dioxane-5-carboxylic acid Traditional Name: 2-amyl-5-methyl-1,3-dioxane-5-carboxylic acid Formula: C11H20O4 MolecularWeight: 216.2741

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1OCC(CO1)(C)C(=O)O

Isomeric SMILES

CCCCCC1OCC(CO1)(C)C(=O)O

InChI

InChI=1S/C11H20O4/c1-3-4-5-6-9-14-7-11(2,8-15-9)10(12)13/h9H,3-8H2,1-2H3,(H,12,13)