2-[(S)-(2,2-dimethyl-1,3-dioxan-5-yl)-oxidanyl-methyl]cyclohex-2-en-1-one

Systemtic Name: 2-[(S)-(2,2-dimethyl-1,3-dioxan-5-yl)-oxidanyl-methyl]cyclohex-2-en-1-one Openeye Name: 2-[(S)-(2,2-dimethyl-1,3-dioxan-5-yl)-hydroxy-methyl]cyclohex-2-en-1-one CAS Name: 2-[(S)-(2,2-dimethyl-1,3-dioxan-5-yl)-hydroxymethyl]-1-cyclohex-2-enone IUPAC Name: 2-[(S)-(2,2-dimethyl-1,3-dioxan-5-yl)-hydroxymethyl]cyclohex-2-en-1-one Traditional Name: 2-[(S)-(2,2-dimethyl-1,3-dioxan-5-yl)-hydroxy-methyl]cyclohex-2-en-1-one Formula: C13H20O4 MolecularWeight: 240.2955

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(CO1)C(C2=CCCCC2=O)O)C

Isomeric SMILES

CC1(OCC(CO1)[C@@H](C2=CCCCC2=O)O)C

InChI

InChI=1S/C13H20O4/c1-13(2)16-7-9(8-17-13)12(15)10-5-3-4-6-11(10)14/h5,9,12,15H,3-4,6-8H2,1-2H3/t12-/m0/s1