hex-3-ynyl 4-methylpentanoate

Systemtic Name: hex-3-ynyl 4-methylpentanoate Openeye Name: hex-3-ynyl 4-methylpentanoate CAS Name: 4-methylpentanoic acid hex-3-ynyl ester IUPAC Name: hex-3-ynyl 4-methylpentanoate Traditional Name: 4-methylvaleric acid hex-3-ynyl ester Formula: C12H20O2 MolecularWeight: 196.286

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CCCOC(=O)CCC(C)C

Isomeric SMILES

CCC#CCCOC(=O)CCC(C)C

InChI

InChI=1S/C12H20O2/c1-4-5-6-7-10-14-12(13)9-8-11(2)3/h11H,4,7-10H2,1-3H3