(E)-4-(2,2,6-trimethyl-6-oxidanyl-cyclohexyl)but-3-en-2-one

Systemtic Name: (E)-4-(2,2,6-trimethyl-6-oxidanyl-cyclohexyl)but-3-en-2-one Openeye Name: (E)-4-(2-hydroxy-2,6,6-trimethyl-cyclohexyl)but-3-en-2-one CAS Name: (E)-4-(2-hydroxy-2,6,6-trimethylcyclohexyl)-3-buten-2-one IUPAC Name: (E)-4-(2-hydroxy-2,6,6-trimethylcyclohexyl)but-3-en-2-one Traditional Name: (E)-4-(2-hydroxy-2,6,6-trimethyl-cyclohexyl)but-3-en-2-one Formula: C13H22O2 MolecularWeight: 210.31258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1C(CCCC1(C)O)(C)C

Isomeric SMILES

CC(=O)/C=C/C1C(CCCC1(C)O)(C)C

InChI

InChI=1S/C13H22O2/c1-10(14)6-7-11-12(2,3)8-5-9-13(11,4)15/h6-7,11,15H,5,8-9H2,1-4H3/b7-6+