2-methyloct-5-yn-4-yl 5-chloranylpentanoate

Systemtic Name: 2-methyloct-5-yn-4-yl 5-chloranylpentanoate Openeye Name: 1-isobutylpent-2-ynyl 5-chloropentanoate CAS Name: 5-chloropentanoic acid 2-methyloct-5-yn-4-yl ester IUPAC Name: 2-methyloct-5-yn-4-yl 5-chloropentanoate Traditional Name: 5-chlorovaleric acid 1-isobutylpent-2-ynyl ester Formula: C14H23ClO2 MolecularWeight: 258.78422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23ClO2/c1-4-5-8-13(11-12(2)3)17-14(16)9-6-7-10-15/h12-13H,4,6-7,9-11H2,1-3H3