1-(2,5-dimethylhexan-2-yl)-2-ethynyl-benzene

Systemtic Name: 1-(2,5-dimethylhexan-2-yl)-2-ethynyl-benzene Openeye Name: 1-ethynyl-2-(1,1,4-trimethylpentyl)benzene CAS Name: 1-(2,5-dimethylhexan-2-yl)-2-ethynylbenzene IUPAC Name: 1-(2,5-dimethylhexan-2-yl)-2-ethynylbenzene Traditional Name: 1-ethynyl-2-(1,1,4-trimethylpentyl)benzene Formula: C16H22 MolecularWeight: 214.34588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)(C)C1=CC=CC=C1C#C

Isomeric SMILES

CC(C)CCC(C)(C)C1=CC=CC=C1C#C

InChI

InChI=1S/C16H22/c1-6-14-9-7-8-10-15(14)16(4,5)12-11-13(2)3/h1,7-10,13H,11-12H2,2-5H3