3-but-3-enoxy-2,2-dimethylbutane;4-(2-tert-butylcyclopropyl)-1-methylpyrazole;4-tert-butyl-1-methylpyridin-2-one;1-[(4-tert-butylphenyl)methyl]pyrrolidine-2,5-dione;N-[(2S)-3,3-dimethylbutan-2-yl]-2-fluorobenzenesulfonamide;5-(4,4-dimethylpentyl)-3-propan-2-yl-1,2,4-oxadiazole;1-(2,2-dimethylpropoxy)-2,4-difluorobenzene;3-(2,2-dimethylpropyl)cyclopentene;1-(2,2-dimethylpropyl)-2-methoxybenzene;1-(2,2-dimethylpropyl)-3-methoxybenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;4-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-thiazole;2,2-dimethyl-3-(2,2,2-trifluoroethoxy)butane

C146H232F6N8O12S2 — CID 161360921

About 3-but-3-enoxy-2,2-dimethylbutane;4-(2-tert-butylcyclopropyl)-1-methylpyrazole;4-tert-butyl-1-methylpyridin-2-one;1-[(4-tert-butylphenyl)methyl]pyrrolidine-2,5-dione;N-[(2S)-3,3-dimethylbutan-2-yl]-2-fluorobenzenesulfonamide;5-(4,4-dimethylpentyl)-3-propan-2-yl-1,2,4-oxadiazole;1-(2,2-dimethylpropoxy)-2,4-difluorobenzene;3-(2,2-dimethylpropyl)cyclopentene;1-(2,2-dimethylpropyl)-2-methoxybenzene;1-(2,2-dimethylpropyl)-3-methoxybenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;4-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-thiazole;2,2-dimethyl-3-(2,2,2-trifluoroethoxy)butane

3-but-3-enoxy-2,2-dimethylbutane;4-(2-tert-butylcyclopropyl)-1-methylpyrazole;4-tert-butyl-1-methylpyridin-2-one;1-[(4-tert-butylphenyl)methyl]pyrrolidine-2,5-dione;N-[(2S)-3,3-dimethylbutan-2-yl]-2-fluorobenzenesulfonamide;5-(4,4-dimethylpentyl)-3-propan-2-yl-1,2,4-oxadiazole;1-(2,2-dimethylpropoxy)-2,4-difluorobenzene;3-(2,2-dimethylpropyl)cyclopentene;1-(2,2-dimethylpropyl)-2-methoxybenzene;1-(2,2-dimethylpropyl)-3-methoxybenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;4-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-thiazole;2,2-dimethyl-3-(2,2,2-trifluoroethoxy)butane (PubChem CID 161360921) has the molecular formula C146H232F6N8O12S2 and a molecular weight of 2469.63 g/mol. Its IUPAC name is 3-but-3-enoxy-2,2-dimethylbutane;4-(2-tert-butylcyclopropyl)-1-methylpyrazole;4-tert-butyl-1-methylpyridin-2-one;1-[(4-tert-butylphenyl)methyl]pyrrolidine-2,5-dione;N-[(2S)-3,3-dimethylbutan-2-yl]-2-fluorobenzenesulfonamide;5-(4,4-dimethylpentyl)-3-propan-2-yl-1,2,4-oxadiazole;1-(2,2-dimethylpropoxy)-2,4-difluorobenzene;3-(2,2-dimethylpropyl)cyclopentene;1-(2,2-dimethylpropyl)-2-methoxybenzene;1-(2,2-dimethylpropyl)-3-methoxybenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;4-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-thiazole;2,2-dimethyl-3-(2,2,2-trifluoroethoxy)butane.

Molecular Properties

• Compound Name: 3-but-3-enoxy-2,2-dimethylbutane;4-(2-tert-butylcyclopropyl)-1-methylpyrazole;4-tert-butyl-1-methylpyridin-2-one;1-[(4-tert-butylphenyl)methyl]pyrrolidine-2,5-dione;N-[(2S)-3,3-dimethylbutan-2-yl]-2-fluorobenzenesulfonamide;5-(4,4-dimethylpentyl)-3-propan-2-yl-1,2,4-oxadiazole;1-(2,2-dimethylpropoxy)-2,4-difluorobenzene;3-(2,2-dimethylpropyl)cyclopentene;1-(2,2-dimethylpropyl)-2-methoxybenzene;1-(2,2-dimethylpropyl)-3-methoxybenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;4-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-thiazole;2,2-dimethyl-3-(2,2,2-trifluoroethoxy)butane
• PubChem CID: 161360921
• Molecular Formula: C146H232F6N8O12S2
• Molecular Weight: 2469.63 g/mol
• Exact Mass: 2467.71
• IUPAC Name: 3-but-3-enoxy-2,2-dimethylbutane;4-(2-tert-butylcyclopropyl)-1-methylpyrazole;4-tert-butyl-1-methylpyridin-2-one;1-[(4-tert-butylphenyl)methyl]pyrrolidine-2,5-dione;N-[(2S)-3,3-dimethylbutan-2-yl]-2-fluorobenzenesulfonamide;5-(4,4-dimethylpentyl)-3-propan-2-yl-1,2,4-oxadiazole;1-(2,2-dimethylpropoxy)-2,4-difluorobenzene;3-(2,2-dimethylpropyl)cyclopentene;1-(2,2-dimethylpropyl)-2-methoxybenzene;1-(2,2-dimethylpropyl)-3-methoxybenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;4-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-thiazole;2,2-dimethyl-3-(2,2,2-trifluoroethoxy)butane
• SMILES: C=CCCOC(C)C(C)(C)C.CC(C)(C)CC1C=CCC1.CC(C)(C)COc1ccc(F)cc1F.CC(C)(C)c1ccc(CN2C(=O)CCC2=O)cc1.CC(C)c1nc(CC(C)(C)C)cs1.CC(C)c1noc(CCCC(C)(C)C)n1.CC(OCC(F)(F)F)C(C)(C)C.COc1ccc(CC(C)(C)C)cc1.COc1cccc(CC(C)(C)C)c1.COc1ccccc1CC(C)(C)C.C[C@H](NS(=O)(=O)c1ccccc1F)C(C)(C)C.Cn1cc(C2CC2C(C)(C)C)cn1.Cn1ccc(C(C)(C)C)cc1=O
• InChI: InChI=1S/C15H19NO2.C12H18FNO2S.C12H22N2O.3C12H18O.C11H14F2O.C11H18N2.C11H19NS.C10H15NO.C10H20O.C10H18.C8H15F3O/c1-15(2,3)12-6-4-11(5-7-12)10-16-13(17)8-9-14(16)18;1-9(12(2,3)4)14-17(15,16)11-8-6-5-7-10(11)13;1-9(2)11-13-10(15-14-11)7-6-8-12(3,4)5;1-12(2,3)9-10-5-7-11(13-4)8-6-10;1-12(2,3)9-10-6-5-7-11(8-10)13-4;1-12(2,3)9-10-7-5-6-8-11(10)13-4;1-11(2,3)7-14-10-5-4-8(12)6-9(10)13;1-11(2,3)10-5-9(10)8-6-12-13(4)7-8;1-8(2)10-12-9(7-13-10)6-11(3,4)5;1-10(2,3)8-5-6-11(4)9(12)7-8;1-6-7-8-11-9(2)10(3,4)5;1-10(2,3)8-9-6-4-5-7-9;1-6(7(2,3)4)12-5-8(9,10)11/h4-7H,8-10H2,1-3H3;5-9,14H,1-4H3;9H,6-8H2,1-5H3;3*5-8H,9H2,1-4H3;4-6H,7H2,1-3H3;6-7,9-10H,5H2,1-4H3;7-8H,6H2,1-5H3;5-7H,1-4H3;6,9H,1,7-8H2,2-5H3;4,6,9H,5,7-8H2,1-3H3;6H,5H2,1-4H3/t;9-;;;;;;;;;;;/m.0.........../s1
• InChIKey: VPDVGTPVCULBJV-SNPRPBAUSA-N
• XLogP: 39.48
• TPSA: 230.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 27
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2469.63
LogP ≤ 5	39.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-but-3-enoxy-2,2-dimethylbutane;4-(2-tert-butylcyclopropyl)-1-methylpyrazole;4-tert-butyl-1-methylpyridin-2-one;1-[(4-tert-butylphenyl)methyl]pyrrolidine-2,5-dione;N-[(2S)-3,3-dimethylbutan-2-yl]-2-fluorobenzenesulfonamide;5-(4,4-dimethylpentyl)-3-propan-2-yl-1,2,4-oxadiazole;1-(2,2-dimethylpropoxy)-2,4-difluorobenzene;3-(2,2-dimethylpropyl)cyclopentene;1-(2,2-dimethylpropyl)-2-methoxybenzene;1-(2,2-dimethylpropyl)-3-methoxybenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;4-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-thiazole;2,2-dimethyl-3-(2,2,2-trifluoroethoxy)butane?

The IUPAC name of 3-but-3-enoxy-2,2-dimethylbutane;4-(2-tert-butylcyclopropyl)-1-methylpyrazole;4-tert-butyl-1-methylpyridin-2-one;1-[(4-tert-butylphenyl)methyl]pyrrolidine-2,5-dione;N-[(2S)-3,3-dimethylbutan-2-yl]-2-fluorobenzenesulfonamide;5-(4,4-dimethylpentyl)-3-propan-2-yl-1,2,4-oxadiazole;1-(2,2-dimethylpropoxy)-2,4-difluorobenzene;3-(2,2-dimethylpropyl)cyclopentene;1-(2,2-dimethylpropyl)-2-methoxybenzene;1-(2,2-dimethylpropyl)-3-methoxybenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;4-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-thiazole;2,2-dimethyl-3-(2,2,2-trifluoroethoxy)butane (CID 161360921) is 3-but-3-enoxy-2,2-dimethylbutane;4-(2-tert-butylcyclopropyl)-1-methylpyrazole;4-tert-butyl-1-methylpyridin-2-one;1-[(4-tert-butylphenyl)methyl]pyrrolidine-2,5-dione;N-[(2S)-3,3-dimethylbutan-2-yl]-2-fluorobenzenesulfonamide;5-(4,4-dimethylpentyl)-3-propan-2-yl-1,2,4-oxadiazole;1-(2,2-dimethylpropoxy)-2,4-difluorobenzene;3-(2,2-dimethylpropyl)cyclopentene;1-(2,2-dimethylpropyl)-2-methoxybenzene;1-(2,2-dimethylpropyl)-3-methoxybenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;4-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-thiazole;2,2-dimethyl-3-(2,2,2-trifluoroethoxy)butane.

What is the SMILES notation for 3-but-3-enoxy-2,2-dimethylbutane;4-(2-tert-butylcyclopropyl)-1-methylpyrazole;4-tert-butyl-1-methylpyridin-2-one;1-[(4-tert-butylphenyl)methyl]pyrrolidine-2,5-dione;N-[(2S)-3,3-dimethylbutan-2-yl]-2-fluorobenzenesulfonamide;5-(4,4-dimethylpentyl)-3-propan-2-yl-1,2,4-oxadiazole;1-(2,2-dimethylpropoxy)-2,4-difluorobenzene;3-(2,2-dimethylpropyl)cyclopentene;1-(2,2-dimethylpropyl)-2-methoxybenzene;1-(2,2-dimethylpropyl)-3-methoxybenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;4-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-thiazole;2,2-dimethyl-3-(2,2,2-trifluoroethoxy)butane?

The canonical SMILES for 3-but-3-enoxy-2,2-dimethylbutane;4-(2-tert-butylcyclopropyl)-1-methylpyrazole;4-tert-butyl-1-methylpyridin-2-one;1-[(4-tert-butylphenyl)methyl]pyrrolidine-2,5-dione;N-[(2S)-3,3-dimethylbutan-2-yl]-2-fluorobenzenesulfonamide;5-(4,4-dimethylpentyl)-3-propan-2-yl-1,2,4-oxadiazole;1-(2,2-dimethylpropoxy)-2,4-difluorobenzene;3-(2,2-dimethylpropyl)cyclopentene;1-(2,2-dimethylpropyl)-2-methoxybenzene;1-(2,2-dimethylpropyl)-3-methoxybenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;4-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-thiazole;2,2-dimethyl-3-(2,2,2-trifluoroethoxy)butane is C=CCCOC(C)C(C)(C)C.CC(C)(C)CC1C=CCC1.CC(C)(C)COc1ccc(F)cc1F.CC(C)(C)c1ccc(CN2C(=O)CCC2=O)cc1.CC(C)c1nc(CC(C)(C)C)cs1.CC(C)c1noc(CCCC(C)(C)C)n1.CC(OCC(F)(F)F)C(C)(C)C.COc1ccc(CC(C)(C)C)cc1.COc1cccc(CC(C)(C)C)c1.COc1ccccc1CC(C)(C)C.C[C@H](NS(=O)(=O)c1ccccc1F)C(C)(C)C.Cn1cc(C2CC2C(C)(C)C)cn1.Cn1ccc(C(C)(C)C)cc1=O.

What is the InChIKey of 3-but-3-enoxy-2,2-dimethylbutane;4-(2-tert-butylcyclopropyl)-1-methylpyrazole;4-tert-butyl-1-methylpyridin-2-one;1-[(4-tert-butylphenyl)methyl]pyrrolidine-2,5-dione;N-[(2S)-3,3-dimethylbutan-2-yl]-2-fluorobenzenesulfonamide;5-(4,4-dimethylpentyl)-3-propan-2-yl-1,2,4-oxadiazole;1-(2,2-dimethylpropoxy)-2,4-difluorobenzene;3-(2,2-dimethylpropyl)cyclopentene;1-(2,2-dimethylpropyl)-2-methoxybenzene;1-(2,2-dimethylpropyl)-3-methoxybenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;4-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-thiazole;2,2-dimethyl-3-(2,2,2-trifluoroethoxy)butane?

The InChIKey is VPDVGTPVCULBJV-SNPRPBAUSA-N. The full InChI is InChI=1S/C15H19NO2.C12H18FNO2S.C12H22N2O.3C12H18O.C11H14F2O.C11H18N2.C11H19NS.C10H15NO.C10H20O.C10H18.C8H15F3O/c1-15(2,3)12-6-4-11(5-7-12)10-16-13(17)8-9-14(16)18;1-9(12(2,3)4)14-17(15,16)11-8-6-5-7-10(11)13;1-9(2)11-13-10(15-14-11)7-6-8-12(3,4)5;1-12(2,3)9-10-5-7-11(13-4)8-6-10;1-12(2,3)9-10-6-5-7-11(8-10)13-4;1-12(2,3)9-10-7-5-6-8-11(10)13-4;1-11(2,3)7-14-10-5-4-8(12)6-9(10)13;1-11(2,3)10-5-9(10)8-6-12-13(4)7-8;1-8(2)10-12-9(7-13-10)6-11(3,4)5;1-10(2,3)8-5-6-11(4)9(12)7-8;1-6-7-8-11-9(2)10(3,4)5;1-10(2,3)8-9-6-4-5-7-9;1-6(7(2,3)4)12-5-8(9,10)11/h4-7H,8-10H2,1-3H3;5-9,14H,1-4H3;9H,6-8H2,1-5H3;3*5-8H,9H2,1-4H3;4-6H,7H2,1-3H3;6-7,9-10H,5H2,1-4H3;7-8H,6H2,1-5H3;5-7H,1-4H3;6,9H,1,7-8H2,2-5H3;4,6,9H,5,7-8H2,1-3H3;6H,5H2,1-4H3/t;9-;;;;;;;;;;;/m.0.........../s1.

What are the key properties of 3-but-3-enoxy-2,2-dimethylbutane;4-(2-tert-butylcyclopropyl)-1-methylpyrazole;4-tert-butyl-1-methylpyridin-2-one;1-[(4-tert-butylphenyl)methyl]pyrrolidine-2,5-dione;N-[(2S)-3,3-dimethylbutan-2-yl]-2-fluorobenzenesulfonamide;5-(4,4-dimethylpentyl)-3-propan-2-yl-1,2,4-oxadiazole;1-(2,2-dimethylpropoxy)-2,4-difluorobenzene;3-(2,2-dimethylpropyl)cyclopentene;1-(2,2-dimethylpropyl)-2-methoxybenzene;1-(2,2-dimethylpropyl)-3-methoxybenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;4-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-thiazole;2,2-dimethyl-3-(2,2,2-trifluoroethoxy)butane?

3-but-3-enoxy-2,2-dimethylbutane;4-(2-tert-butylcyclopropyl)-1-methylpyrazole;4-tert-butyl-1-methylpyridin-2-one;1-[(4-tert-butylphenyl)methyl]pyrrolidine-2,5-dione;N-[(2S)-3,3-dimethylbutan-2-yl]-2-fluorobenzenesulfonamide;5-(4,4-dimethylpentyl)-3-propan-2-yl-1,2,4-oxadiazole;1-(2,2-dimethylpropoxy)-2,4-difluorobenzene;3-(2,2-dimethylpropyl)cyclopentene;1-(2,2-dimethylpropyl)-2-methoxybenzene;1-(2,2-dimethylpropyl)-3-methoxybenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;4-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-thiazole;2,2-dimethyl-3-(2,2,2-trifluoroethoxy)butane has a molecular weight of 2469.63 g/mol, XLogP of 39.48, 27 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 3-but-3-enoxy-2,2-dimethylbutane;4-(2-tert-butylcyclopropyl)-1-methylpyrazole;4-tert-butyl-1-methylpyridin-2-one;1-[(4-tert-butylphenyl)methyl]pyrrolidine-2,5-dione;N-[(2S)-3,3-dimethylbutan-2-yl]-2-fluorobenzenesulfonamide;5-(4,4-dimethylpentyl)-3-propan-2-yl-1,2,4-oxadiazole;1-(2,2-dimethylpropoxy)-2,4-difluorobenzene;3-(2,2-dimethylpropyl)cyclopentene;1-(2,2-dimethylpropyl)-2-methoxybenzene;1-(2,2-dimethylpropyl)-3-methoxybenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;4-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-thiazole;2,2-dimethyl-3-(2,2,2-trifluoroethoxy)butane is sourced from PubChem (CID 161360921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).