(3R,4S,5R)-4-ethynyl-3-methyl-5-pentyl-oxolan-2-one

Systemtic Name: (3R,4S,5R)-4-ethynyl-3-methyl-5-pentyl-oxolan-2-one Openeye Name: (3R,4S,5R)-4-ethynyl-3-methyl-5-pentyl-tetrahydrofuran-2-one CAS Name: (3R,4S,5R)-4-ethynyl-3-methyl-5-pentyl-2-oxolanone IUPAC Name: (3R,4S,5R)-4-ethynyl-3-methyl-5-pentyloxolan-2-one Traditional Name: (3R,4S,5R)-5-amyl-4-ethynyl-3-methyl-tetrahydrofuran-2-one Formula: C12H18O2 MolecularWeight: 194.27012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(C(C(=O)O1)C)C#C

Isomeric SMILES

CCCCC[C@@H]1[C@@H]([C@H](C(=O)O1)C)C#C

InChI

InChI=1S/C12H18O2/c1-4-6-7-8-11-10(5-2)9(3)12(13)14-11/h2,9-11H,4,6-8H2,1,3H3/t9-,10-,11-/m1/s1