4,4-dimethyl-2-methylidene-pentanoic acid; 2-methylideneoctanoic acid; 2-methylprop-2-enoate

Systemtic Name: 4,4-dimethyl-2-methylidene-pentanoic acid; 2-methylideneoctanoic acid; 2-methylprop-2-enoate Openeye Name: 4,4-dimethyl-2-methylene-pentanoic acid; 2-methyleneoctanoic acid; 2-methylprop-2-enoate CAS Name: 4,4-dimethyl-2-methylenepentanoic acid; 2-methyleneoctanoic acid; 2-methyl-2-propenoate IUPAC Name: 4,4-dimethyl-2-methylidenepentanoic acid; 2-methylideneoctanoic acid; 2-methylprop-2-enoate Traditional Name: 2-hexylacrylic acid; methacrylate; 2-neopentylacrylic acid Formula: C21H35O6- MolecularWeight: 383.499

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=C)C(=O)O.CC(=C)C(=O)[O-].CC(C)(C)CC(=C)C(=O)O

Isomeric SMILES

CCCCCCC(=C)C(=O)O.CC(=C)C(=O)[O-].CC(C)(C)CC(=C)C(=O)O

InChI

InChI=1S/C9H16O2.C8H14O2.C4H6O2/c1-3-4-5-6-7-8(2)9(10)11;1-6(7(9)10)5-8(2,3)4;1-3(2)4(5)6/h2-7H2,1H3,(H,10,11);1,5H2,2-4H3,(H,9,10);1H2,2H3,(H,5,6)/p-1