1-(3,3-dimethylcyclohexyl)ethanone; ethanal

Systemtic Name: 1-(3,3-dimethylcyclohexyl)ethanone; ethanal Openeye Name: acetaldehyde; 1-(3,3-dimethylcyclohexyl)ethanone CAS Name: acetaldehyde; 1-(3,3-dimethylcyclohexyl)ethanone IUPAC Name: acetaldehyde; 1-(3,3-dimethylcyclohexyl)ethanone Traditional Name: acetaldehyde; 1-(3,3-dimethylcyclohexyl)ethanone Formula: C12H22O2 MolecularWeight: 198.30188

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Descriptors Computed from Structure

Canonical SMILES:

CC=O.CC(=O)C1CCCC(C1)(C)C

Isomeric SMILES

CC=O.CC(=O)C1CCCC(C1)(C)C

InChI

InChI=1S/C10H18O.C2H4O/c1-8(11)9-5-4-6-10(2,3)7-9;1-2-3/h9H,4-7H2,1-3H3;2H,1H3