(3S,3aS,6aS)-3-but-2-ynyl-3,3a,6a-trimethyl-1,4,5,6-tetrahydropentalen-2-one

Systemtic Name: (3S,3aS,6aS)-3-but-2-ynyl-3,3a,6a-trimethyl-1,4,5,6-tetrahydropentalen-2-one Openeye Name: (3S,3aS,6aS)-3-but-2-ynyl-3,3a,6a-trimethyl-1,4,5,6-tetrahydropentalen-2-one CAS Name: (3S,3aS,6aS)-3-but-2-ynyl-3,3a,6a-trimethyl-1,4,5,6-tetrahydropentalen-2-one IUPAC Name: (3S,3aS,6aS)-3-but-2-ynyl-3,3a,6a-trimethyl-1,4,5,6-tetrahydropentalen-2-one Traditional Name: (3S,3aS,6aS)-3-but-2-ynyl-3,3a,6a-trimethyl-1,4,5,6-tetrahydropentalen-2-one Formula: C15H22O MolecularWeight: 218.33458

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCC1(C(=O)CC2(C1(CCC2)C)C)C

Isomeric SMILES

CC#CC[C@@]1(C(=O)C[C@]2([C@@]1(CCC2)C)C)C

InChI

InChI=1S/C15H22O/c1-5-6-9-14(3)12(16)11-13(2)8-7-10-15(13,14)4/h7-11H2,1-4H3/t13-,14+,15-/m0/s1