(2S,3R,6R)-3,6-dimethyl-2-pentyl-oxan-4-one

Systemtic Name: (2S,3R,6R)-3,6-dimethyl-2-pentyl-oxan-4-one Openeye Name: (2S,3R,6R)-3,6-dimethyl-2-pentyl-tetrahydropyran-4-one CAS Name: (2S,3R,6R)-3,6-dimethyl-2-pentyl-4-oxanone IUPAC Name: (2S,3R,6R)-3,6-dimethyl-2-pentyloxan-4-one Traditional Name: (2S,3R,6R)-2-amyl-3,6-dimethyl-tetrahydropyran-4-one Formula: C12H22O2 MolecularWeight: 198.30188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(C(=O)CC(O1)C)C

Isomeric SMILES

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

InChI

InChI=1S/C12H22O2/c1-4-5-6-7-12-10(3)11(13)8-9(2)14-12/h9-10,12H,4-8H2,1-3H3/t9-,10+,12+/m1/s1