2-[(1S,2S)-2-(2-oxidanylidenepropyl)cyclohexyl]prop-2-enal

Systemtic Name: 2-[(1S,2S)-2-(2-oxidanylidenepropyl)cyclohexyl]prop-2-enal Openeye Name: 2-[(1S,2S)-2-acetonylcyclohexyl]prop-2-enal CAS Name: 2-[(1S,2S)-2-(2-oxopropyl)cyclohexyl]-2-propenal IUPAC Name: 2-[(1S,2S)-2-(2-oxopropyl)cyclohexyl]prop-2-enal Traditional Name: 2-[(1S,2S)-2-acetonylcyclohexyl]acrolein Formula: C12H18O2 MolecularWeight: 194.27012

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1CCCCC1C(=C)C=O

Isomeric SMILES

CC(=O)C[C@@H]1CCCC[C@@H]1C(=C)C=O

InChI

InChI=1S/C12H18O2/c1-9(8-13)12-6-4-3-5-11(12)7-10(2)14/h8,11-12H,1,3-7H2,2H3/t11-,12+/m0/s1