5,5-dimethylhex-2-ynylcyclobutane;5,5-dimethylhex-2-ynylcyclopentane;5,5-dimethylhex-2-ynylcyclopropane;6-(4,4-dimethylpent-2-ynyl)-1H-benzimidazole;5-(4,4-dimethylpent-2-ynyl)-2-benzothiophene;7-(4,4-dimethylpent-2-ynyl)cinnoline;6-(4,4-dimethylpent-2-ynyl)-1H-indazole;6-(4,4-dimethylpent-2-ynyl)-1H-indole;5-(4,4-dimethylpent-2-ynyl)-2H-isoindole;4-(4,4-dimethylpent-2-ynyl)pyridazine;3-(4,4-dimethylpent-2-ynyl)pyridine;4-(4,4-dimethylpent-2-ynyl)pyridine;6-(4,4-dimethylpent-2-ynyl)quinoline;6-(4,4-dimethylpent-2-ynyl)quinoxaline;3-(4,4-dimethylpent-2-ynyl)thiophene

C201H249N15S2 — CID 158343341

About 5,5-dimethylhex-2-ynylcyclobutane;5,5-dimethylhex-2-ynylcyclopentane;5,5-dimethylhex-2-ynylcyclopropane;6-(4,4-dimethylpent-2-ynyl)-1H-benzimidazole;5-(4,4-dimethylpent-2-ynyl)-2-benzothiophene;7-(4,4-dimethylpent-2-ynyl)cinnoline;6-(4,4-dimethylpent-2-ynyl)-1H-indazole;6-(4,4-dimethylpent-2-ynyl)-1H-indole;5-(4,4-dimethylpent-2-ynyl)-2H-isoindole;4-(4,4-dimethylpent-2-ynyl)pyridazine;3-(4,4-dimethylpent-2-ynyl)pyridine;4-(4,4-dimethylpent-2-ynyl)pyridine;6-(4,4-dimethylpent-2-ynyl)quinoline;6-(4,4-dimethylpent-2-ynyl)quinoxaline;3-(4,4-dimethylpent-2-ynyl)thiophene

5,5-dimethylhex-2-ynylcyclobutane;5,5-dimethylhex-2-ynylcyclopentane;5,5-dimethylhex-2-ynylcyclopropane;6-(4,4-dimethylpent-2-ynyl)-1H-benzimidazole;5-(4,4-dimethylpent-2-ynyl)-2-benzothiophene;7-(4,4-dimethylpent-2-ynyl)cinnoline;6-(4,4-dimethylpent-2-ynyl)-1H-indazole;6-(4,4-dimethylpent-2-ynyl)-1H-indole;5-(4,4-dimethylpent-2-ynyl)-2H-isoindole;4-(4,4-dimethylpent-2-ynyl)pyridazine;3-(4,4-dimethylpent-2-ynyl)pyridine;4-(4,4-dimethylpent-2-ynyl)pyridine;6-(4,4-dimethylpent-2-ynyl)quinoline;6-(4,4-dimethylpent-2-ynyl)quinoxaline;3-(4,4-dimethylpent-2-ynyl)thiophene (PubChem CID 158343341) has the molecular formula C201H249N15S2 and a molecular weight of 2939.44 g/mol. Its IUPAC name is 5,5-dimethylhex-2-ynylcyclobutane;5,5-dimethylhex-2-ynylcyclopentane;5,5-dimethylhex-2-ynylcyclopropane;6-(4,4-dimethylpent-2-ynyl)-1H-benzimidazole;5-(4,4-dimethylpent-2-ynyl)-2-benzothiophene;7-(4,4-dimethylpent-2-ynyl)cinnoline;6-(4,4-dimethylpent-2-ynyl)-1H-indazole;6-(4,4-dimethylpent-2-ynyl)-1H-indole;5-(4,4-dimethylpent-2-ynyl)-2H-isoindole;4-(4,4-dimethylpent-2-ynyl)pyridazine;3-(4,4-dimethylpent-2-ynyl)pyridine;4-(4,4-dimethylpent-2-ynyl)pyridine;6-(4,4-dimethylpent-2-ynyl)quinoline;6-(4,4-dimethylpent-2-ynyl)quinoxaline;3-(4,4-dimethylpent-2-ynyl)thiophene.

Molecular Properties

• Compound Name: 5,5-dimethylhex-2-ynylcyclobutane;5,5-dimethylhex-2-ynylcyclopentane;5,5-dimethylhex-2-ynylcyclopropane;6-(4,4-dimethylpent-2-ynyl)-1H-benzimidazole;5-(4,4-dimethylpent-2-ynyl)-2-benzothiophene;7-(4,4-dimethylpent-2-ynyl)cinnoline;6-(4,4-dimethylpent-2-ynyl)-1H-indazole;6-(4,4-dimethylpent-2-ynyl)-1H-indole;5-(4,4-dimethylpent-2-ynyl)-2H-isoindole;4-(4,4-dimethylpent-2-ynyl)pyridazine;3-(4,4-dimethylpent-2-ynyl)pyridine;4-(4,4-dimethylpent-2-ynyl)pyridine;6-(4,4-dimethylpent-2-ynyl)quinoline;6-(4,4-dimethylpent-2-ynyl)quinoxaline;3-(4,4-dimethylpent-2-ynyl)thiophene
• PubChem CID: 158343341
• Molecular Formula: C201H249N15S2
• Molecular Weight: 2939.44 g/mol
• Exact Mass: 2936.94
• IUPAC Name: 5,5-dimethylhex-2-ynylcyclobutane;5,5-dimethylhex-2-ynylcyclopentane;5,5-dimethylhex-2-ynylcyclopropane;6-(4,4-dimethylpent-2-ynyl)-1H-benzimidazole;5-(4,4-dimethylpent-2-ynyl)-2-benzothiophene;7-(4,4-dimethylpent-2-ynyl)cinnoline;6-(4,4-dimethylpent-2-ynyl)-1H-indazole;6-(4,4-dimethylpent-2-ynyl)-1H-indole;5-(4,4-dimethylpent-2-ynyl)-2H-isoindole;4-(4,4-dimethylpent-2-ynyl)pyridazine;3-(4,4-dimethylpent-2-ynyl)pyridine;4-(4,4-dimethylpent-2-ynyl)pyridine;6-(4,4-dimethylpent-2-ynyl)quinoline;6-(4,4-dimethylpent-2-ynyl)quinoxaline;3-(4,4-dimethylpent-2-ynyl)thiophene
• SMILES: CC(C)(C)C#CCc1ccc2c[nH]cc2c1.CC(C)(C)C#CCc1ccc2cc[nH]c2c1.CC(C)(C)C#CCc1ccc2ccnnc2c1.CC(C)(C)C#CCc1ccc2cn[nH]c2c1.CC(C)(C)C#CCc1ccc2cscc2c1.CC(C)(C)C#CCc1ccc2nc[nH]c2c1.CC(C)(C)C#CCc1ccc2ncccc2c1.CC(C)(C)C#CCc1ccc2nccnc2c1.CC(C)(C)C#CCc1cccnc1.CC(C)(C)C#CCc1ccncc1.CC(C)(C)C#CCc1ccnnc1.CC(C)(C)C#CCc1ccsc1.CC(C)(C)CC#CCC1CC1.CC(C)(C)CC#CCC1CCC1.CC(C)(C)CC#CCC1CCCC1
• InChI: InChI=1S/C16H17N.2C15H16N2.2C15H17N.C15H16S.2C14H16N2.C13H22.2C12H15N.C12H20.C11H14N2.C11H14S.C11H18/c1-16(2,3)10-4-6-13-8-9-15-14(12-13)7-5-11-17-15;1-15(2,3)9-4-5-12-6-7-13-8-10-16-17-14(13)11-12;1-15(2,3)8-4-5-12-6-7-13-14(11-12)17-10-9-16-13;1-15(2,3)9-4-5-12-6-7-13-8-10-16-14(13)11-12;2*1-15(2,3)8-4-5-12-6-7-13-10-16-11-14(13)9-12;1-14(2,3)8-4-5-11-6-7-12-13(9-11)16-10-15-12;1-14(2,3)8-4-5-11-6-7-12-10-15-16-13(12)9-11;1-13(2,3)11-7-6-10-12-8-4-5-9-12;1-12(2,3)8-4-6-11-7-5-9-13-10-11;1-12(2,3)8-4-5-11-6-9-13-10-7-11;1-12(2,3)10-5-4-7-11-8-6-9-11;1-11(2,3)7-4-5-10-6-8-12-13-9-10;1-11(2,3)7-4-5-10-6-8-12-9-10;1-11(2,3)9-5-4-6-10-7-8-10/h5,7-9,11-12H,6H2,1-3H3;6-8,10-11H,5H2,1-3H3;6-7,9-11H,5H2,1-3H3;6-8,10-11,16H,5H2,1-3H3;6-7,9-11,16H,5H2,1-3H3;6-7,9-11H,5H2,1-3H3;2*6-7,9-10H,5H2,1-3H3,(H,15,16);12H,4-5,8-11H2,1-3H3;5,7,9-10H,6H2,1-3H3;6-7,9-10H,5H2,1-3H3;11H,6-10H2,1-3H3;6,8-9H,5H2,1-3H3;6,8-9H,5H2,1-3H3;10H,6-9H2,1-3H3
• InChIKey: GRKQXRGKSXBIHR-UHFFFAOYSA-N
• XLogP: 50.20
• TPSA: 204.95 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 15
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2939.44
LogP ≤ 5	50.20
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylhex-2-ynylcyclobutane;5,5-dimethylhex-2-ynylcyclopentane;5,5-dimethylhex-2-ynylcyclopropane;6-(4,4-dimethylpent-2-ynyl)-1H-benzimidazole;5-(4,4-dimethylpent-2-ynyl)-2-benzothiophene;7-(4,4-dimethylpent-2-ynyl)cinnoline;6-(4,4-dimethylpent-2-ynyl)-1H-indazole;6-(4,4-dimethylpent-2-ynyl)-1H-indole;5-(4,4-dimethylpent-2-ynyl)-2H-isoindole;4-(4,4-dimethylpent-2-ynyl)pyridazine;3-(4,4-dimethylpent-2-ynyl)pyridine;4-(4,4-dimethylpent-2-ynyl)pyridine;6-(4,4-dimethylpent-2-ynyl)quinoline;6-(4,4-dimethylpent-2-ynyl)quinoxaline;3-(4,4-dimethylpent-2-ynyl)thiophene?

The IUPAC name of 5,5-dimethylhex-2-ynylcyclobutane;5,5-dimethylhex-2-ynylcyclopentane;5,5-dimethylhex-2-ynylcyclopropane;6-(4,4-dimethylpent-2-ynyl)-1H-benzimidazole;5-(4,4-dimethylpent-2-ynyl)-2-benzothiophene;7-(4,4-dimethylpent-2-ynyl)cinnoline;6-(4,4-dimethylpent-2-ynyl)-1H-indazole;6-(4,4-dimethylpent-2-ynyl)-1H-indole;5-(4,4-dimethylpent-2-ynyl)-2H-isoindole;4-(4,4-dimethylpent-2-ynyl)pyridazine;3-(4,4-dimethylpent-2-ynyl)pyridine;4-(4,4-dimethylpent-2-ynyl)pyridine;6-(4,4-dimethylpent-2-ynyl)quinoline;6-(4,4-dimethylpent-2-ynyl)quinoxaline;3-(4,4-dimethylpent-2-ynyl)thiophene (CID 158343341) is 5,5-dimethylhex-2-ynylcyclobutane;5,5-dimethylhex-2-ynylcyclopentane;5,5-dimethylhex-2-ynylcyclopropane;6-(4,4-dimethylpent-2-ynyl)-1H-benzimidazole;5-(4,4-dimethylpent-2-ynyl)-2-benzothiophene;7-(4,4-dimethylpent-2-ynyl)cinnoline;6-(4,4-dimethylpent-2-ynyl)-1H-indazole;6-(4,4-dimethylpent-2-ynyl)-1H-indole;5-(4,4-dimethylpent-2-ynyl)-2H-isoindole;4-(4,4-dimethylpent-2-ynyl)pyridazine;3-(4,4-dimethylpent-2-ynyl)pyridine;4-(4,4-dimethylpent-2-ynyl)pyridine;6-(4,4-dimethylpent-2-ynyl)quinoline;6-(4,4-dimethylpent-2-ynyl)quinoxaline;3-(4,4-dimethylpent-2-ynyl)thiophene.

What is the SMILES notation for 5,5-dimethylhex-2-ynylcyclobutane;5,5-dimethylhex-2-ynylcyclopentane;5,5-dimethylhex-2-ynylcyclopropane;6-(4,4-dimethylpent-2-ynyl)-1H-benzimidazole;5-(4,4-dimethylpent-2-ynyl)-2-benzothiophene;7-(4,4-dimethylpent-2-ynyl)cinnoline;6-(4,4-dimethylpent-2-ynyl)-1H-indazole;6-(4,4-dimethylpent-2-ynyl)-1H-indole;5-(4,4-dimethylpent-2-ynyl)-2H-isoindole;4-(4,4-dimethylpent-2-ynyl)pyridazine;3-(4,4-dimethylpent-2-ynyl)pyridine;4-(4,4-dimethylpent-2-ynyl)pyridine;6-(4,4-dimethylpent-2-ynyl)quinoline;6-(4,4-dimethylpent-2-ynyl)quinoxaline;3-(4,4-dimethylpent-2-ynyl)thiophene?

The canonical SMILES for 5,5-dimethylhex-2-ynylcyclobutane;5,5-dimethylhex-2-ynylcyclopentane;5,5-dimethylhex-2-ynylcyclopropane;6-(4,4-dimethylpent-2-ynyl)-1H-benzimidazole;5-(4,4-dimethylpent-2-ynyl)-2-benzothiophene;7-(4,4-dimethylpent-2-ynyl)cinnoline;6-(4,4-dimethylpent-2-ynyl)-1H-indazole;6-(4,4-dimethylpent-2-ynyl)-1H-indole;5-(4,4-dimethylpent-2-ynyl)-2H-isoindole;4-(4,4-dimethylpent-2-ynyl)pyridazine;3-(4,4-dimethylpent-2-ynyl)pyridine;4-(4,4-dimethylpent-2-ynyl)pyridine;6-(4,4-dimethylpent-2-ynyl)quinoline;6-(4,4-dimethylpent-2-ynyl)quinoxaline;3-(4,4-dimethylpent-2-ynyl)thiophene is CC(C)(C)C#CCc1ccc2c[nH]cc2c1.CC(C)(C)C#CCc1ccc2cc[nH]c2c1.CC(C)(C)C#CCc1ccc2ccnnc2c1.CC(C)(C)C#CCc1ccc2cn[nH]c2c1.CC(C)(C)C#CCc1ccc2cscc2c1.CC(C)(C)C#CCc1ccc2nc[nH]c2c1.CC(C)(C)C#CCc1ccc2ncccc2c1.CC(C)(C)C#CCc1ccc2nccnc2c1.CC(C)(C)C#CCc1cccnc1.CC(C)(C)C#CCc1ccncc1.CC(C)(C)C#CCc1ccnnc1.CC(C)(C)C#CCc1ccsc1.CC(C)(C)CC#CCC1CC1.CC(C)(C)CC#CCC1CCC1.CC(C)(C)CC#CCC1CCCC1.

What is the InChIKey of 5,5-dimethylhex-2-ynylcyclobutane;5,5-dimethylhex-2-ynylcyclopentane;5,5-dimethylhex-2-ynylcyclopropane;6-(4,4-dimethylpent-2-ynyl)-1H-benzimidazole;5-(4,4-dimethylpent-2-ynyl)-2-benzothiophene;7-(4,4-dimethylpent-2-ynyl)cinnoline;6-(4,4-dimethylpent-2-ynyl)-1H-indazole;6-(4,4-dimethylpent-2-ynyl)-1H-indole;5-(4,4-dimethylpent-2-ynyl)-2H-isoindole;4-(4,4-dimethylpent-2-ynyl)pyridazine;3-(4,4-dimethylpent-2-ynyl)pyridine;4-(4,4-dimethylpent-2-ynyl)pyridine;6-(4,4-dimethylpent-2-ynyl)quinoline;6-(4,4-dimethylpent-2-ynyl)quinoxaline;3-(4,4-dimethylpent-2-ynyl)thiophene?

The InChIKey is GRKQXRGKSXBIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N.2C15H16N2.2C15H17N.C15H16S.2C14H16N2.C13H22.2C12H15N.C12H20.C11H14N2.C11H14S.C11H18/c1-16(2,3)10-4-6-13-8-9-15-14(12-13)7-5-11-17-15;1-15(2,3)9-4-5-12-6-7-13-8-10-16-17-14(13)11-12;1-15(2,3)8-4-5-12-6-7-13-14(11-12)17-10-9-16-13;1-15(2,3)9-4-5-12-6-7-13-8-10-16-14(13)11-12;2*1-15(2,3)8-4-5-12-6-7-13-10-16-11-14(13)9-12;1-14(2,3)8-4-5-11-6-7-12-13(9-11)16-10-15-12;1-14(2,3)8-4-5-11-6-7-12-10-15-16-13(12)9-11;1-13(2,3)11-7-6-10-12-8-4-5-9-12;1-12(2,3)8-4-6-11-7-5-9-13-10-11;1-12(2,3)8-4-5-11-6-9-13-10-7-11;1-12(2,3)10-5-4-7-11-8-6-9-11;1-11(2,3)7-4-5-10-6-8-12-13-9-10;1-11(2,3)7-4-5-10-6-8-12-9-10;1-11(2,3)9-5-4-6-10-7-8-10/h5,7-9,11-12H,6H2,1-3H3;6-8,10-11H,5H2,1-3H3;6-7,9-11H,5H2,1-3H3;6-8,10-11,16H,5H2,1-3H3;6-7,9-11,16H,5H2,1-3H3;6-7,9-11H,5H2,1-3H3;2*6-7,9-10H,5H2,1-3H3,(H,15,16);12H,4-5,8-11H2,1-3H3;5,7,9-10H,6H2,1-3H3;6-7,9-10H,5H2,1-3H3;11H,6-10H2,1-3H3;6,8-9H,5H2,1-3H3;6,8-9H,5H2,1-3H3;10H,6-9H2,1-3H3.

What are the key properties of 5,5-dimethylhex-2-ynylcyclobutane;5,5-dimethylhex-2-ynylcyclopentane;5,5-dimethylhex-2-ynylcyclopropane;6-(4,4-dimethylpent-2-ynyl)-1H-benzimidazole;5-(4,4-dimethylpent-2-ynyl)-2-benzothiophene;7-(4,4-dimethylpent-2-ynyl)cinnoline;6-(4,4-dimethylpent-2-ynyl)-1H-indazole;6-(4,4-dimethylpent-2-ynyl)-1H-indole;5-(4,4-dimethylpent-2-ynyl)-2H-isoindole;4-(4,4-dimethylpent-2-ynyl)pyridazine;3-(4,4-dimethylpent-2-ynyl)pyridine;4-(4,4-dimethylpent-2-ynyl)pyridine;6-(4,4-dimethylpent-2-ynyl)quinoline;6-(4,4-dimethylpent-2-ynyl)quinoxaline;3-(4,4-dimethylpent-2-ynyl)thiophene?

5,5-dimethylhex-2-ynylcyclobutane;5,5-dimethylhex-2-ynylcyclopentane;5,5-dimethylhex-2-ynylcyclopropane;6-(4,4-dimethylpent-2-ynyl)-1H-benzimidazole;5-(4,4-dimethylpent-2-ynyl)-2-benzothiophene;7-(4,4-dimethylpent-2-ynyl)cinnoline;6-(4,4-dimethylpent-2-ynyl)-1H-indazole;6-(4,4-dimethylpent-2-ynyl)-1H-indole;5-(4,4-dimethylpent-2-ynyl)-2H-isoindole;4-(4,4-dimethylpent-2-ynyl)pyridazine;3-(4,4-dimethylpent-2-ynyl)pyridine;4-(4,4-dimethylpent-2-ynyl)pyridine;6-(4,4-dimethylpent-2-ynyl)quinoline;6-(4,4-dimethylpent-2-ynyl)quinoxaline;3-(4,4-dimethylpent-2-ynyl)thiophene has a molecular weight of 2939.44 g/mol, XLogP of 50.20, 15 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5-dimethylhex-2-ynylcyclobutane;5,5-dimethylhex-2-ynylcyclopentane;5,5-dimethylhex-2-ynylcyclopropane;6-(4,4-dimethylpent-2-ynyl)-1H-benzimidazole;5-(4,4-dimethylpent-2-ynyl)-2-benzothiophene;7-(4,4-dimethylpent-2-ynyl)cinnoline;6-(4,4-dimethylpent-2-ynyl)-1H-indazole;6-(4,4-dimethylpent-2-ynyl)-1H-indole;5-(4,4-dimethylpent-2-ynyl)-2H-isoindole;4-(4,4-dimethylpent-2-ynyl)pyridazine;3-(4,4-dimethylpent-2-ynyl)pyridine;4-(4,4-dimethylpent-2-ynyl)pyridine;6-(4,4-dimethylpent-2-ynyl)quinoline;6-(4,4-dimethylpent-2-ynyl)quinoxaline;3-(4,4-dimethylpent-2-ynyl)thiophene is sourced from PubChem (CID 158343341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).