tert-butyl 5,6-dimethyl-4-oxidanyl-hept-5-en-2-ynoate

Systemtic Name: tert-butyl 5,6-dimethyl-4-oxidanyl-hept-5-en-2-ynoate Openeye Name: tert-butyl 4-hydroxy-5,6-dimethyl-hept-5-en-2-ynoate CAS Name: 4-hydroxy-5,6-dimethylhept-5-en-2-ynoic acid tert-butyl ester IUPAC Name: tert-butyl 4-hydroxy-5,6-dimethylhept-5-en-2-ynoate Traditional Name: 4-hydroxy-5,6-dimethyl-hept-5-en-2-ynoic acid tert-butyl ester Formula: C13H20O3 MolecularWeight: 224.2961

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C)C(C#CC(=O)OC(C)(C)C)O)C

Isomeric SMILES

CC(=C(C)C(C#CC(=O)OC(C)(C)C)O)C

InChI

InChI=1S/C13H20O3/c1-9(2)10(3)11(14)7-8-12(15)16-13(4,5)6/h11,14H,1-6H3