2-hexyl-4,4-dimethyl-3-oxidanyl-cyclobut-2-en-1-one

Systemtic Name: 2-hexyl-4,4-dimethyl-3-oxidanyl-cyclobut-2-en-1-one Openeye Name: 2-hexyl-3-hydroxy-4,4-dimethyl-cyclobut-2-en-1-one CAS Name: 2-hexyl-3-hydroxy-4,4-dimethyl-1-cyclobut-2-enone IUPAC Name: 2-hexyl-3-hydroxy-4,4-dimethylcyclobut-2-en-1-one Traditional Name: 2-hexyl-3-hydroxy-4,4-dimethyl-cyclobut-2-en-1-one Formula: C12H20O2 MolecularWeight: 196.286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(C1=O)(C)C)O

Isomeric SMILES

CCCCCCC1=C(C(C1=O)(C)C)O

InChI

InChI=1S/C12H20O2/c1-4-5-6-7-8-9-10(13)12(2,3)11(9)14/h13H,4-8H2,1-3H3