[(1S,6R)-6-(2,2-dimethylpropyl)-7-oxabicyclo[4.1.0]hept-2-en-2-yl] ethanoate

Systemtic Name: [(1S,6R)-6-(2,2-dimethylpropyl)-7-oxabicyclo[4.1.0]hept-2-en-2-yl] ethanoate Openeye Name: [(1S,6R)-6-(2,2-dimethylpropyl)-7-oxabicyclo[4.1.0]hept-2-en-2-yl] acetate CAS Name: acetic acid [(1S,6R)-6-(2,2-dimethylpropyl)-7-oxabicyclo[4.1.0]hept-2-en-2-yl] ester IUPAC Name: [(1S,6R)-6-(2,2-dimethylpropyl)-7-oxabicyclo[4.1.0]hept-2-en-2-yl] acetate Traditional Name: acetic acid [(1S,6R)-6-neopentyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl] ester Formula: C13H20O3 MolecularWeight: 224.2961

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CCCC2(C1O2)CC(C)(C)C

Isomeric SMILES

CC(=O)OC1=CCC[C@]2([C@@H]1O2)CC(C)(C)C

InChI

InChI=1S/C13H20O3/c1-9(14)15-10-6-5-7-13(11(10)16-13)8-12(2,3)4/h6,11H,5,7-8H2,1-4H3/t11-,13-/m1/s1