3-methyl-2-prop-2-ynyl-octanoic acid

Systemtic Name: 3-methyl-2-prop-2-ynyl-octanoic acid Openeye Name: 3-methyl-2-prop-2-ynyl-octanoic acid CAS Name: 3-methyl-2-prop-2-ynyloctanoic acid IUPAC Name: 3-methyl-2-prop-2-ynyloctanoic acid Traditional Name: 2-(1-methylhexyl)pent-4-ynoic acid Formula: C12H20O2 MolecularWeight: 196.286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C(CC#C)C(=O)O

Isomeric SMILES

CCCCCC(C)C(CC#C)C(=O)O

InChI

InChI=1S/C12H20O2/c1-4-6-7-9-10(3)11(8-5-2)12(13)14/h2,10-11H,4,6-9H2,1,3H3,(H,13,14)