(1S,2S,4R)-2-ethynyl-4-methyl-1-propan-2-yl-cyclohexane

Systemtic Name: (1S,2S,4R)-2-ethynyl-4-methyl-1-propan-2-yl-cyclohexane Openeye Name: (1S,2S,4R)-2-ethynyl-1-isopropyl-4-methyl-cyclohexane CAS Name: (1S,2S,4R)-2-ethynyl-4-methyl-1-propan-2-ylcyclohexane IUPAC Name: (1S,2S,4R)-2-ethynyl-4-methyl-1-propan-2-ylcyclohexane Traditional Name: (1S,2S,4R)-2-ethynyl-1-isopropyl-4-methyl-cyclohexane Formula: C12H20 MolecularWeight: 164.2872

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)C#C)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@H](C1)C#C)C(C)C

InChI

InChI=1S/C12H20/c1-5-11-8-10(4)6-7-12(11)9(2)3/h1,9-12H,6-8H2,2-4H3/t10-,11+,12+/m1/s1