(E)-4-(2,5,5-trimethylcyclopenten-1-yl)but-3-en-2-one

Systemtic Name: (E)-4-(2,5,5-trimethylcyclopenten-1-yl)but-3-en-2-one Openeye Name: (E)-4-(2,5,5-trimethylcyclopenten-1-yl)but-3-en-2-one CAS Name: (E)-4-(2,5,5-trimethyl-1-cyclopentenyl)-3-buten-2-one IUPAC Name: (E)-4-(2,5,5-trimethylcyclopenten-1-yl)but-3-en-2-one Traditional Name: (E)-4-(2,5,5-trimethylcyclopenten-1-yl)but-3-en-2-one Formula: C12H18O MolecularWeight: 178.27072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CC1)(C)C)C=CC(=O)C

Isomeric SMILES

CC1=C(C(CC1)(C)C)/C=C/C(=O)C

InChI

InChI=1S/C12H18O/c1-9-7-8-12(3,4)11(9)6-5-10(2)13/h5-6H,7-8H2,1-4H3/b6-5+