5-cyclobutyl-2-(4-ethynylphenyl)-1,3-dioxane

Systemtic Name: 5-cyclobutyl-2-(4-ethynylphenyl)-1,3-dioxane Openeye Name: 5-cyclobutyl-2-(4-ethynylphenyl)-1,3-dioxane CAS Name: 5-cyclobutyl-2-(4-ethynylphenyl)-1,3-dioxane IUPAC Name: 5-cyclobutyl-2-(4-ethynylphenyl)-1,3-dioxane Traditional Name: 5-cyclobutyl-2-(4-ethynylphenyl)-1,3-dioxane Formula: C16H18O2 MolecularWeight: 242.31292

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=C(C=C1)C2OCC(CO2)C3CCC3

Isomeric SMILES

C#CC1=CC=C(C=C1)C2OCC(CO2)C3CCC3

InChI

InChI=1S/C16H18O2/c1-2-12-6-8-14(9-7-12)16-17-10-15(11-18-16)13-4-3-5-13/h1,6-9,13,15-16H,3-5,10-11H2