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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCC(C)C(/C=C/C)C(=O)O

InChI

InChI=1S/C12H22O2/c1-4-6-7-9-10(3)11(8-5-2)12(13)14/h5,8,10-11H,4,6-7,9H2,1-3H3,(H,13,14)/b8-5+