3,5,5,7,7-pentamethyloctanoic acid

Systemtic Name: 3,5,5,7,7-pentamethyloctanoic acid Openeye Name: 3,5,5,7,7-pentamethyloctanoic acid CAS Name: 3,5,5,7,7-pentamethyloctanoic acid IUPAC Name: 3,5,5,7,7-pentamethyloctanoic acid Traditional Name: 3,5,5,7,7-pentamethylcaprylic acid Formula: C13H26O2 MolecularWeight: 214.34434

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)CC(C)(C)CC(C)(C)C

Isomeric SMILES

CC(CC(=O)O)CC(C)(C)CC(C)(C)C

InChI

InChI=1S/C13H26O2/c1-10(7-11(14)15)8-13(5,6)9-12(2,3)4/h10H,7-9H2,1-6H3,(H,14,15)