3-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)thiophene;ethane;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)-1,3-oxazole;5-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene

C123H221N7O4S4 — CID 159941197

About 3-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)thiophene;ethane;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)-1,3-oxazole;5-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene

3-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)thiophene;ethane;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)-1,3-oxazole;5-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene (PubChem CID 159941197) has the molecular formula C123H221N7O4S4 and a molecular weight of 1990.43 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)thiophene;ethane;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)-1,3-oxazole;5-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene.

Molecular Properties

• Compound Name: 3-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)thiophene;ethane;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)-1,3-oxazole;5-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene
• PubChem CID: 159941197
• Molecular Formula: C123H221N7O4S4
• Molecular Weight: 1990.43 g/mol
• Exact Mass: 1988.62
• IUPAC Name: 3-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)thiophene;ethane;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)-1,3-oxazole;5-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)Cc1ccoc1.CC(C)(C)Cc1ccsc1.CC(C)Cc1ccccc1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccco1.CC(C)Cc1cccs1.CC(C)Cc1ccncc1.CC(C)Cc1cnco1.CC(C)Cc1cncs1.CC(C)Cc1ncco1.CC(C)Cc1nccs1
• InChI: InChI=1S/C10H14.3C9H13N.C9H14O.C9H14S.C8H12O.C8H12S.2C7H11NO.2C7H11NS.12C2H6/c1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;2*1-9(2,3)6-8-4-5-10-7-8;2*1-7(2)6-8-4-3-5-9-8;1-6(2)3-7-4-8-5-9-7;1-6(2)5-7-8-3-4-9-7;1-6(2)3-7-4-8-5-9-7;1-6(2)5-7-8-3-4-9-7;12*1-2/h3-7,9H,8H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;2*4-5,7H,6H2,1-3H3;2*3-5,7H,6H2,1-2H3;4-6H,3H2,1-2H3;3-4,6H,5H2,1-2H3;4-6H,3H2,1-2H3;3-4,6H,5H2,1-2H3;12*1-2H3
• InChIKey: OAXDLGYYJDZGCX-UHFFFAOYSA-N
• XLogP: 42.10
• TPSA: 142.79 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 22
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1990.43
LogP ≤ 5	42.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)thiophene;ethane;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)-1,3-oxazole;5-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene?

The IUPAC name of 3-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)thiophene;ethane;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)-1,3-oxazole;5-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene (CID 159941197) is 3-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)thiophene;ethane;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)-1,3-oxazole;5-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene.

What is the SMILES notation for 3-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)thiophene;ethane;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)-1,3-oxazole;5-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene?

The canonical SMILES for 3-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)thiophene;ethane;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)-1,3-oxazole;5-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)Cc1ccoc1.CC(C)(C)Cc1ccsc1.CC(C)Cc1ccccc1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccco1.CC(C)Cc1cccs1.CC(C)Cc1ccncc1.CC(C)Cc1cnco1.CC(C)Cc1cncs1.CC(C)Cc1ncco1.CC(C)Cc1nccs1.

What is the InChIKey of 3-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)thiophene;ethane;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)-1,3-oxazole;5-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene?

The InChIKey is OAXDLGYYJDZGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.3C9H13N.C9H14O.C9H14S.C8H12O.C8H12S.2C7H11NO.2C7H11NS.12C2H6/c1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;2*1-9(2,3)6-8-4-5-10-7-8;2*1-7(2)6-8-4-3-5-9-8;1-6(2)3-7-4-8-5-9-7;1-6(2)5-7-8-3-4-9-7;1-6(2)3-7-4-8-5-9-7;1-6(2)5-7-8-3-4-9-7;12*1-2/h3-7,9H,8H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;2*4-5,7H,6H2,1-3H3;2*3-5,7H,6H2,1-2H3;4-6H,3H2,1-2H3;3-4,6H,5H2,1-2H3;4-6H,3H2,1-2H3;3-4,6H,5H2,1-2H3;12*1-2H3.

What are the key properties of 3-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)thiophene;ethane;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)-1,3-oxazole;5-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene?

3-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)thiophene;ethane;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)-1,3-oxazole;5-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene has a molecular weight of 1990.43 g/mol, XLogP of 42.10, 22 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)thiophene;ethane;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)-1,3-oxazole;5-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene is sourced from PubChem (CID 159941197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).