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

Systemtic Name: ethyl 2,5-dimethyl-2-oxidanyl-hex-3-ynoate Openeye Name: ethyl 2-hydroxy-2,5-dimethyl-hex-3-ynoate CAS Name: 2-hydroxy-2,5-dimethyl-3-hexynoic acid ethyl ester IUPAC Name: ethyl 2-hydroxy-2,5-dimethylhex-3-ynoate Traditional Name: 2-hydroxy-2,5-dimethyl-hex-3-ynoic acid ethyl ester Formula: C10H16O3 MolecularWeight: 184.23224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C#CC(C)C)O

Isomeric SMILES

CCOC(=O)C(C)(C#CC(C)C)O

InChI

InChI=1S/C10H16O3/c1-5-13-9(11)10(4,12)7-6-8(2)3/h8,12H,5H2,1-4H3