[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] but-2-ynoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] but-2-ynoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] but-2-ynoate CAS Name: 2-butynoic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] but-2-ynoate Traditional Name: but-2-ynoic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C14H22O2 MolecularWeight: 222.32328

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)OC1CC(CCC1C(C)C)C

Isomeric SMILES

CC#CC(=O)O[C@@H]1C[C@@H](CC[C@H]1C(C)C)C

InChI

InChI=1S/C14H22O2/c1-5-6-14(15)16-13-9-11(4)7-8-12(13)10(2)3/h10-13H,7-9H2,1-4H3/t11-,12+,13-/m1/s1