(4S,6S)-6-hexyl-2,2-dimethyl-4-(2-oxidanylpropan-2-yl)-1,3-dioxane-4-carbonitrile

Systemtic Name: (4S,6S)-6-hexyl-2,2-dimethyl-4-(2-oxidanylpropan-2-yl)-1,3-dioxane-4-carbonitrile Openeye Name: (4S,6S)-6-hexyl-4-(1-hydroxy-1-methyl-ethyl)-2,2-dimethyl-1,3-dioxane-4-carbonitrile CAS Name: (4S,6S)-6-hexyl-4-(2-hydroxypropan-2-yl)-2,2-dimethyl-1,3-dioxane-4-carbonitrile IUPAC Name: (4S,6S)-6-hexyl-4-(2-hydroxypropan-2-yl)-2,2-dimethyl-1,3-dioxane-4-carbonitrile Traditional Name: (4S,6S)-6-hexyl-4-(1-hydroxy-1-methyl-ethyl)-2,2-dimethyl-1,3-dioxane-4-carbonitrile Formula: C16H29NO3 MolecularWeight: 283.40636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CC(OC(O1)(C)C)(C#N)C(C)(C)O

Isomeric SMILES

CCCCCC[C@H]1C[C@](OC(O1)(C)C)(C#N)C(C)(C)O

InChI

InChI=1S/C16H29NO3/c1-6-7-8-9-10-13-11-16(12-17,14(2,3)18)20-15(4,5)19-13/h13,18H,6-11H2,1-5H3/t13-,16-/m0/s1