2,2-dimethylpropylbenzene;2,2-dimethylpropylcyclobutane;bis(2,2-dimethylpropylcyclopropane);5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;4-(2,2-dimethylpropyl)-1-methyltriazole;2-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)oxetane;3-(2,2-dimethylpropyl)oxolane;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-5-(trifluoromethyl)furan

C163H280F3N17O7 — CID 161024068

About 2,2-dimethylpropylbenzene;2,2-dimethylpropylcyclobutane;bis(2,2-dimethylpropylcyclopropane);5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;4-(2,2-dimethylpropyl)-1-methyltriazole;2-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)oxetane;3-(2,2-dimethylpropyl)oxolane;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-5-(trifluoromethyl)furan

2,2-dimethylpropylbenzene;2,2-dimethylpropylcyclobutane;bis(2,2-dimethylpropylcyclopropane);5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;4-(2,2-dimethylpropyl)-1-methyltriazole;2-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)oxetane;3-(2,2-dimethylpropyl)oxolane;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-5-(trifluoromethyl)furan (PubChem CID 161024068) has the molecular formula C163H280F3N17O7 and a molecular weight of 2647.14 g/mol. Its IUPAC name is 2,2-dimethylpropylbenzene;2,2-dimethylpropylcyclobutane;bis(2,2-dimethylpropylcyclopropane);5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;4-(2,2-dimethylpropyl)-1-methyltriazole;2-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)oxetane;3-(2,2-dimethylpropyl)oxolane;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-5-(trifluoromethyl)furan.

Molecular Properties

• Compound Name: 2,2-dimethylpropylbenzene;2,2-dimethylpropylcyclobutane;bis(2,2-dimethylpropylcyclopropane);5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;4-(2,2-dimethylpropyl)-1-methyltriazole;2-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)oxetane;3-(2,2-dimethylpropyl)oxolane;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-5-(trifluoromethyl)furan
• PubChem CID: 161024068
• Molecular Formula: C163H280F3N17O7
• Molecular Weight: 2647.14 g/mol
• Exact Mass: 2645.20
• IUPAC Name: 2,2-dimethylpropylbenzene;2,2-dimethylpropylcyclobutane;bis(2,2-dimethylpropylcyclopropane);5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;4-(2,2-dimethylpropyl)-1-methyltriazole;2-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)oxetane;3-(2,2-dimethylpropyl)oxolane;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-5-(trifluoromethyl)furan
• SMILES: CC(C)(C)CC1CC1.CC(C)(C)CC1CC1.CC(C)(C)CC1CCC1.CC(C)(C)CC1CCCCO1.CC(C)(C)CC1CCO1.CC(C)(C)CC1CCOC1.CC(C)(C)Cc1ccc(C(F)(F)F)o1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1cccnn1.CC(C)(C)Cc1cncnc1.CC(C)(C)Cc1ncco1.Cc1cc(CC(C)(C)C)no1.Cc1cnc(CC(C)(C)C)nc1.Cc1noc(CC(C)(C)C)n1.Cn1cc(CC(C)(C)C)cn1.Cn1cc(CC(C)(C)C)nn1
• InChI: InChI=1S/C11H16.C10H13F3O.C10H16N2.2C10H15N.C10H20O.C9H16N2.2C9H14N2.C9H15NO.C9H18O.C9H18.C8H15N3.C8H14N2O.C8H13NO.C8H16O.2C8H16/c1-11(2,3)9-10-7-5-4-6-8-10;1-9(2,3)6-7-4-5-8(14-7)10(11,12)13;1-8-6-11-9(12-7-8)5-10(2,3)4;1-10(2,3)7-9-5-4-6-11-8-9;2*1-10(2,3)8-9-6-4-5-7-11-9;1-9(2,3)5-8-6-10-11(4)7-8;1-9(2,3)4-8-5-10-7-11-6-8;1-9(2,3)7-8-5-4-6-10-11-8;1-7-5-8(10-11-7)6-9(2,3)4;1-9(2,3)6-8-4-5-10-7-8;1-9(2,3)7-8-5-4-6-8;1-8(2,3)5-7-6-11(4)10-9-7;1-6-9-7(11-10-6)5-8(2,3)4;1-8(2,3)6-7-9-4-5-10-7;1-8(2,3)6-7-4-5-9-7;2*1-8(2,3)6-7-4-5-7/h4-8H,9H2,1-3H3;4-5H,6H2,1-3H3;6-7H,5H2,1-4H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;9H,4-8H2,1-3H3;6-7H,5H2,1-4H3;5-7H,4H2,1-3H3;4-6H,7H2,1-3H3;5H,6H2,1-4H3;8H,4-7H2,1-3H3;8H,4-7H2,1-3H3;6H,5H2,1-4H3;5H2,1-4H3;4-5H,6H2,1-3H3;7H,4-6H2,1-3H3;2*7H,4-6H2,1-3H3
• InChIKey: TYTGVHGZYRRPPH-UHFFFAOYSA-N
• XLogP: 45.77
• TPSA: 283.46 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 18
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2647.14
LogP ≤ 5	45.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropylbenzene;2,2-dimethylpropylcyclobutane;bis(2,2-dimethylpropylcyclopropane);5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;4-(2,2-dimethylpropyl)-1-methyltriazole;2-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)oxetane;3-(2,2-dimethylpropyl)oxolane;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-5-(trifluoromethyl)furan?

The IUPAC name of 2,2-dimethylpropylbenzene;2,2-dimethylpropylcyclobutane;bis(2,2-dimethylpropylcyclopropane);5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;4-(2,2-dimethylpropyl)-1-methyltriazole;2-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)oxetane;3-(2,2-dimethylpropyl)oxolane;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-5-(trifluoromethyl)furan (CID 161024068) is 2,2-dimethylpropylbenzene;2,2-dimethylpropylcyclobutane;bis(2,2-dimethylpropylcyclopropane);5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;4-(2,2-dimethylpropyl)-1-methyltriazole;2-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)oxetane;3-(2,2-dimethylpropyl)oxolane;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-5-(trifluoromethyl)furan.

What is the SMILES notation for 2,2-dimethylpropylbenzene;2,2-dimethylpropylcyclobutane;bis(2,2-dimethylpropylcyclopropane);5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;4-(2,2-dimethylpropyl)-1-methyltriazole;2-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)oxetane;3-(2,2-dimethylpropyl)oxolane;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-5-(trifluoromethyl)furan?

The canonical SMILES for 2,2-dimethylpropylbenzene;2,2-dimethylpropylcyclobutane;bis(2,2-dimethylpropylcyclopropane);5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;4-(2,2-dimethylpropyl)-1-methyltriazole;2-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)oxetane;3-(2,2-dimethylpropyl)oxolane;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-5-(trifluoromethyl)furan is CC(C)(C)CC1CC1.CC(C)(C)CC1CC1.CC(C)(C)CC1CCC1.CC(C)(C)CC1CCCCO1.CC(C)(C)CC1CCO1.CC(C)(C)CC1CCOC1.CC(C)(C)Cc1ccc(C(F)(F)F)o1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1cccnn1.CC(C)(C)Cc1cncnc1.CC(C)(C)Cc1ncco1.Cc1cc(CC(C)(C)C)no1.Cc1cnc(CC(C)(C)C)nc1.Cc1noc(CC(C)(C)C)n1.Cn1cc(CC(C)(C)C)cn1.Cn1cc(CC(C)(C)C)nn1.

What is the InChIKey of 2,2-dimethylpropylbenzene;2,2-dimethylpropylcyclobutane;bis(2,2-dimethylpropylcyclopropane);5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;4-(2,2-dimethylpropyl)-1-methyltriazole;2-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)oxetane;3-(2,2-dimethylpropyl)oxolane;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-5-(trifluoromethyl)furan?

The InChIKey is TYTGVHGZYRRPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.C10H13F3O.C10H16N2.2C10H15N.C10H20O.C9H16N2.2C9H14N2.C9H15NO.C9H18O.C9H18.C8H15N3.C8H14N2O.C8H13NO.C8H16O.2C8H16/c1-11(2,3)9-10-7-5-4-6-8-10;1-9(2,3)6-7-4-5-8(14-7)10(11,12)13;1-8-6-11-9(12-7-8)5-10(2,3)4;1-10(2,3)7-9-5-4-6-11-8-9;2*1-10(2,3)8-9-6-4-5-7-11-9;1-9(2,3)5-8-6-10-11(4)7-8;1-9(2,3)4-8-5-10-7-11-6-8;1-9(2,3)7-8-5-4-6-10-11-8;1-7-5-8(10-11-7)6-9(2,3)4;1-9(2,3)6-8-4-5-10-7-8;1-9(2,3)7-8-5-4-6-8;1-8(2,3)5-7-6-11(4)10-9-7;1-6-9-7(11-10-6)5-8(2,3)4;1-8(2,3)6-7-9-4-5-10-7;1-8(2,3)6-7-4-5-9-7;2*1-8(2,3)6-7-4-5-7/h4-8H,9H2,1-3H3;4-5H,6H2,1-3H3;6-7H,5H2,1-4H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;9H,4-8H2,1-3H3;6-7H,5H2,1-4H3;5-7H,4H2,1-3H3;4-6H,7H2,1-3H3;5H,6H2,1-4H3;8H,4-7H2,1-3H3;8H,4-7H2,1-3H3;6H,5H2,1-4H3;5H2,1-4H3;4-5H,6H2,1-3H3;7H,4-6H2,1-3H3;2*7H,4-6H2,1-3H3.

What are the key properties of 2,2-dimethylpropylbenzene;2,2-dimethylpropylcyclobutane;bis(2,2-dimethylpropylcyclopropane);5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;4-(2,2-dimethylpropyl)-1-methyltriazole;2-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)oxetane;3-(2,2-dimethylpropyl)oxolane;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-5-(trifluoromethyl)furan?

2,2-dimethylpropylbenzene;2,2-dimethylpropylcyclobutane;bis(2,2-dimethylpropylcyclopropane);5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;4-(2,2-dimethylpropyl)-1-methyltriazole;2-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)oxetane;3-(2,2-dimethylpropyl)oxolane;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-5-(trifluoromethyl)furan has a molecular weight of 2647.14 g/mol, XLogP of 45.77, 18 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethylpropylbenzene;2,2-dimethylpropylcyclobutane;bis(2,2-dimethylpropylcyclopropane);5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;4-(2,2-dimethylpropyl)-1-methyltriazole;2-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)oxetane;3-(2,2-dimethylpropyl)oxolane;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-5-(trifluoromethyl)furan is sourced from PubChem (CID 161024068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).