7,7-dimethyloctanoic acid; propan-2-amine

Systemtic Name: 7,7-dimethyloctanoic acid; propan-2-amine Openeye Name: 7,7-dimethyloctanoic acid; propan-2-amine CAS Name: 7,7-dimethyloctanoic acid; 2-propanamine IUPAC Name: 7,7-dimethyloctanoic acid; propan-2-amine Traditional Name: 7,7-dimethylcaprylic acid; isopropylamine Formula: C13H29NO2 MolecularWeight: 231.37486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N.CC(C)(C)CCCCCC(=O)O

Isomeric SMILES

CC(C)N.CC(C)(C)CCCCCC(=O)O

InChI

InChI=1S/C10H20O2.C3H9N/c1-10(2,3)8-6-4-5-7-9(11)12;1-3(2)4/h4-8H2,1-3H3,(H,11,12);3H,4H2,1-2H3