butyl 5,5-dimethyl-2-oxidanyl-hex-3-ynoate

Systemtic Name: butyl 5,5-dimethyl-2-oxidanyl-hex-3-ynoate Openeye Name: butyl 2-hydroxy-5,5-dimethyl-hex-3-ynoate CAS Name: 2-hydroxy-5,5-dimethyl-3-hexynoic acid butyl ester IUPAC Name: butyl 2-hydroxy-5,5-dimethylhex-3-ynoate Traditional Name: 2-hydroxy-5,5-dimethyl-hex-3-ynoic acid butyl ester Formula: C12H20O3 MolecularWeight: 212.2854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C#CC(C)(C)C)O

Isomeric SMILES

CCCCOC(=O)C(C#CC(C)(C)C)O

InChI

InChI=1S/C12H20O3/c1-5-6-9-15-11(14)10(13)7-8-12(2,3)4/h10,13H,5-6,9H2,1-4H3