2-methyl-2-[(E)-prop-1-enyl]octanoic acid

Systemtic Name: 2-methyl-2-[(E)-prop-1-enyl]octanoic acid Openeye Name: 2-methyl-2-[(E)-prop-1-enyl]octanoic acid CAS Name: 2-methyl-2-[(E)-prop-1-enyl]octanoic acid IUPAC Name: 2-methyl-2-[(E)-prop-1-enyl]octanoic acid Traditional Name: (E)-2-hexyl-2-methyl-pent-3-enoic acid Formula: C12H22O2 MolecularWeight: 198.30188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCC(C)(/C=C/C)C(=O)O

InChI

InChI=1S/C12H22O2/c1-4-6-7-8-10-12(3,9-5-2)11(13)14/h5,9H,4,6-8,10H2,1-3H3,(H,13,14)/b9-5+