tert-butylcyclopentane;4-(2-tert-butylcyclopropyl)-1-methylpyrazole;3-tert-butyl-5-(3,3-dimethylbutyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2-phenylethyl)pyrrolidin-2-one;1-[(4-tert-butylphenyl)methyl]pyrrolidine-2,5-dione;5-(3,3-dimethylbutyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(4,4-dimethylpentyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(2,2-dimethylpropoxy)benzonitrile;1-(2,2-dimethylpropoxy)-2,4-difluorobenzene;3-(2,2-dimethylpropyl)cyclopentene;4-(2,2-dimethylpropyl)-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-3-methoxybenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)thiophene

C162H256F2N12O11S — CID 167584903

About tert-butylcyclopentane;4-(2-tert-butylcyclopropyl)-1-methylpyrazole;3-tert-butyl-5-(3,3-dimethylbutyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2-phenylethyl)pyrrolidin-2-one;1-[(4-tert-butylphenyl)methyl]pyrrolidine-2,5-dione;5-(3,3-dimethylbutyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(4,4-dimethylpentyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(2,2-dimethylpropoxy)benzonitrile;1-(2,2-dimethylpropoxy)-2,4-difluorobenzene;3-(2,2-dimethylpropyl)cyclopentene;4-(2,2-dimethylpropyl)-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-3-methoxybenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)thiophene

tert-butylcyclopentane;4-(2-tert-butylcyclopropyl)-1-methylpyrazole;3-tert-butyl-5-(3,3-dimethylbutyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2-phenylethyl)pyrrolidin-2-one;1-[(4-tert-butylphenyl)methyl]pyrrolidine-2,5-dione;5-(3,3-dimethylbutyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(4,4-dimethylpentyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(2,2-dimethylpropoxy)benzonitrile;1-(2,2-dimethylpropoxy)-2,4-difluorobenzene;3-(2,2-dimethylpropyl)cyclopentene;4-(2,2-dimethylpropyl)-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-3-methoxybenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)thiophene (PubChem CID 167584903) has the molecular formula C162H256F2N12O11S and a molecular weight of 2617.97 g/mol. Its IUPAC name is tert-butylcyclopentane;4-(2-tert-butylcyclopropyl)-1-methylpyrazole;3-tert-butyl-5-(3,3-dimethylbutyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2-phenylethyl)pyrrolidin-2-one;1-[(4-tert-butylphenyl)methyl]pyrrolidine-2,5-dione;5-(3,3-dimethylbutyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(4,4-dimethylpentyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(2,2-dimethylpropoxy)benzonitrile;1-(2,2-dimethylpropoxy)-2,4-difluorobenzene;3-(2,2-dimethylpropyl)cyclopentene;4-(2,2-dimethylpropyl)-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-3-methoxybenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)thiophene.

Molecular Properties

• Compound Name: tert-butylcyclopentane;4-(2-tert-butylcyclopropyl)-1-methylpyrazole;3-tert-butyl-5-(3,3-dimethylbutyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2-phenylethyl)pyrrolidin-2-one;1-[(4-tert-butylphenyl)methyl]pyrrolidine-2,5-dione;5-(3,3-dimethylbutyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(4,4-dimethylpentyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(2,2-dimethylpropoxy)benzonitrile;1-(2,2-dimethylpropoxy)-2,4-difluorobenzene;3-(2,2-dimethylpropyl)cyclopentene;4-(2,2-dimethylpropyl)-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-3-methoxybenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)thiophene
• PubChem CID: 167584903
• Molecular Formula: C162H256F2N12O11S
• Molecular Weight: 2617.97 g/mol
• Exact Mass: 2615.95
• IUPAC Name: tert-butylcyclopentane;4-(2-tert-butylcyclopropyl)-1-methylpyrazole;3-tert-butyl-5-(3,3-dimethylbutyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2-phenylethyl)pyrrolidin-2-one;1-[(4-tert-butylphenyl)methyl]pyrrolidine-2,5-dione;5-(3,3-dimethylbutyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(4,4-dimethylpentyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(2,2-dimethylpropoxy)benzonitrile;1-(2,2-dimethylpropoxy)-2,4-difluorobenzene;3-(2,2-dimethylpropyl)cyclopentene;4-(2,2-dimethylpropyl)-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-3-methoxybenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)thiophene
• SMILES: CC(C)(C)C1CC(=O)N(CCc2ccccc2)C1.CC(C)(C)C1CCCC1.CC(C)(C)CC1C=CCC1.CC(C)(C)CCc1nc(C(C)(C)C)no1.CC(C)(C)COc1ccc(F)cc1F.CC(C)(C)COc1ccccc1C#N.CC(C)(C)Cc1cccs1.CC(C)(C)c1ccc(CN2C(=O)CCC2=O)cc1.CC(C)c1noc(CCC(C)(C)C)n1.CC(C)c1noc(CCCC(C)(C)C)n1.COc1ccc(CC(C)(C)C)cc1.COc1cccc(CC(C)(C)C)c1.Cc1noc(C)c1CC(C)(C)C.Cn1cc(C2CC2C(C)(C)C)cn1
• InChI: InChI=1S/C16H23NO.C15H19NO2.2C12H22N2O.C12H15NO.2C12H18O.C11H14F2O.C11H20N2O.C11H18N2.C10H17NO.C10H18.C9H14S.C9H18/c1-16(2,3)14-11-15(18)17(12-14)10-9-13-7-5-4-6-8-13;1-15(2,3)12-6-4-11(5-7-12)10-16-13(17)8-9-14(16)18;1-11(2,3)8-7-9-13-10(14-15-9)12(4,5)6;1-9(2)11-13-10(15-14-11)7-6-8-12(3,4)5;1-12(2,3)9-14-11-7-5-4-6-10(11)8-13;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;1-11(2,3)7-14-10-5-4-8(12)6-9(10)13;1-8(2)10-12-9(14-13-10)6-7-11(3,4)5;1-11(2,3)10-5-9(10)8-6-12-13(4)7-8;1-7-9(6-10(3,4)5)8(2)12-11-7;1-10(2,3)8-9-6-4-5-7-9;1-9(2,3)7-8-5-4-6-10-8;1-9(2,3)8-6-4-5-7-8/h4-8,14H,9-12H2,1-3H3;4-7H,8-10H2,1-3H3;7-8H2,1-6H3;9H,6-8H2,1-5H3;4-7H,9H2,1-3H3;2*5-8H,9H2,1-4H3;4-6H,7H2,1-3H3;8H,6-7H2,1-5H3;6-7,9-10H,5H2,1-4H3;6H2,1-5H3;4,6,9H,5,7-8H2,1-3H3;4-6H,7H2,1-3H3;8H,4-7H2,1-3H3
• InChIKey: HRCCTYCFJJAMDF-UHFFFAOYSA-N
• XLogP: 44.17
• TPSA: 279.01 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 26
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2617.97
LogP ≤ 5	44.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butylcyclopentane;4-(2-tert-butylcyclopropyl)-1-methylpyrazole;3-tert-butyl-5-(3,3-dimethylbutyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2-phenylethyl)pyrrolidin-2-one;1-[(4-tert-butylphenyl)methyl]pyrrolidine-2,5-dione;5-(3,3-dimethylbutyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(4,4-dimethylpentyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(2,2-dimethylpropoxy)benzonitrile;1-(2,2-dimethylpropoxy)-2,4-difluorobenzene;3-(2,2-dimethylpropyl)cyclopentene;4-(2,2-dimethylpropyl)-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-3-methoxybenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)thiophene?

The IUPAC name of tert-butylcyclopentane;4-(2-tert-butylcyclopropyl)-1-methylpyrazole;3-tert-butyl-5-(3,3-dimethylbutyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2-phenylethyl)pyrrolidin-2-one;1-[(4-tert-butylphenyl)methyl]pyrrolidine-2,5-dione;5-(3,3-dimethylbutyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(4,4-dimethylpentyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(2,2-dimethylpropoxy)benzonitrile;1-(2,2-dimethylpropoxy)-2,4-difluorobenzene;3-(2,2-dimethylpropyl)cyclopentene;4-(2,2-dimethylpropyl)-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-3-methoxybenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)thiophene (CID 167584903) is tert-butylcyclopentane;4-(2-tert-butylcyclopropyl)-1-methylpyrazole;3-tert-butyl-5-(3,3-dimethylbutyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2-phenylethyl)pyrrolidin-2-one;1-[(4-tert-butylphenyl)methyl]pyrrolidine-2,5-dione;5-(3,3-dimethylbutyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(4,4-dimethylpentyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(2,2-dimethylpropoxy)benzonitrile;1-(2,2-dimethylpropoxy)-2,4-difluorobenzene;3-(2,2-dimethylpropyl)cyclopentene;4-(2,2-dimethylpropyl)-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-3-methoxybenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)thiophene.

What is the SMILES notation for tert-butylcyclopentane;4-(2-tert-butylcyclopropyl)-1-methylpyrazole;3-tert-butyl-5-(3,3-dimethylbutyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2-phenylethyl)pyrrolidin-2-one;1-[(4-tert-butylphenyl)methyl]pyrrolidine-2,5-dione;5-(3,3-dimethylbutyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(4,4-dimethylpentyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(2,2-dimethylpropoxy)benzonitrile;1-(2,2-dimethylpropoxy)-2,4-difluorobenzene;3-(2,2-dimethylpropyl)cyclopentene;4-(2,2-dimethylpropyl)-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-3-methoxybenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)thiophene?

The canonical SMILES for tert-butylcyclopentane;4-(2-tert-butylcyclopropyl)-1-methylpyrazole;3-tert-butyl-5-(3,3-dimethylbutyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2-phenylethyl)pyrrolidin-2-one;1-[(4-tert-butylphenyl)methyl]pyrrolidine-2,5-dione;5-(3,3-dimethylbutyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(4,4-dimethylpentyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(2,2-dimethylpropoxy)benzonitrile;1-(2,2-dimethylpropoxy)-2,4-difluorobenzene;3-(2,2-dimethylpropyl)cyclopentene;4-(2,2-dimethylpropyl)-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-3-methoxybenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)thiophene is CC(C)(C)C1CC(=O)N(CCc2ccccc2)C1.CC(C)(C)C1CCCC1.CC(C)(C)CC1C=CCC1.CC(C)(C)CCc1nc(C(C)(C)C)no1.CC(C)(C)COc1ccc(F)cc1F.CC(C)(C)COc1ccccc1C#N.CC(C)(C)Cc1cccs1.CC(C)(C)c1ccc(CN2C(=O)CCC2=O)cc1.CC(C)c1noc(CCC(C)(C)C)n1.CC(C)c1noc(CCCC(C)(C)C)n1.COc1ccc(CC(C)(C)C)cc1.COc1cccc(CC(C)(C)C)c1.Cc1noc(C)c1CC(C)(C)C.Cn1cc(C2CC2C(C)(C)C)cn1.

What is the InChIKey of tert-butylcyclopentane;4-(2-tert-butylcyclopropyl)-1-methylpyrazole;3-tert-butyl-5-(3,3-dimethylbutyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2-phenylethyl)pyrrolidin-2-one;1-[(4-tert-butylphenyl)methyl]pyrrolidine-2,5-dione;5-(3,3-dimethylbutyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(4,4-dimethylpentyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(2,2-dimethylpropoxy)benzonitrile;1-(2,2-dimethylpropoxy)-2,4-difluorobenzene;3-(2,2-dimethylpropyl)cyclopentene;4-(2,2-dimethylpropyl)-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-3-methoxybenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)thiophene?

The InChIKey is HRCCTYCFJJAMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO.C15H19NO2.2C12H22N2O.C12H15NO.2C12H18O.C11H14F2O.C11H20N2O.C11H18N2.C10H17NO.C10H18.C9H14S.C9H18/c1-16(2,3)14-11-15(18)17(12-14)10-9-13-7-5-4-6-8-13;1-15(2,3)12-6-4-11(5-7-12)10-16-13(17)8-9-14(16)18;1-11(2,3)8-7-9-13-10(14-15-9)12(4,5)6;1-9(2)11-13-10(15-14-11)7-6-8-12(3,4)5;1-12(2,3)9-14-11-7-5-4-6-10(11)8-13;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;1-11(2,3)7-14-10-5-4-8(12)6-9(10)13;1-8(2)10-12-9(14-13-10)6-7-11(3,4)5;1-11(2,3)10-5-9(10)8-6-12-13(4)7-8;1-7-9(6-10(3,4)5)8(2)12-11-7;1-10(2,3)8-9-6-4-5-7-9;1-9(2,3)7-8-5-4-6-10-8;1-9(2,3)8-6-4-5-7-8/h4-8,14H,9-12H2,1-3H3;4-7H,8-10H2,1-3H3;7-8H2,1-6H3;9H,6-8H2,1-5H3;4-7H,9H2,1-3H3;2*5-8H,9H2,1-4H3;4-6H,7H2,1-3H3;8H,6-7H2,1-5H3;6-7,9-10H,5H2,1-4H3;6H2,1-5H3;4,6,9H,5,7-8H2,1-3H3;4-6H,7H2,1-3H3;8H,4-7H2,1-3H3.

What are the key properties of tert-butylcyclopentane;4-(2-tert-butylcyclopropyl)-1-methylpyrazole;3-tert-butyl-5-(3,3-dimethylbutyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2-phenylethyl)pyrrolidin-2-one;1-[(4-tert-butylphenyl)methyl]pyrrolidine-2,5-dione;5-(3,3-dimethylbutyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(4,4-dimethylpentyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(2,2-dimethylpropoxy)benzonitrile;1-(2,2-dimethylpropoxy)-2,4-difluorobenzene;3-(2,2-dimethylpropyl)cyclopentene;4-(2,2-dimethylpropyl)-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-3-methoxybenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)thiophene?

tert-butylcyclopentane;4-(2-tert-butylcyclopropyl)-1-methylpyrazole;3-tert-butyl-5-(3,3-dimethylbutyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2-phenylethyl)pyrrolidin-2-one;1-[(4-tert-butylphenyl)methyl]pyrrolidine-2,5-dione;5-(3,3-dimethylbutyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(4,4-dimethylpentyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(2,2-dimethylpropoxy)benzonitrile;1-(2,2-dimethylpropoxy)-2,4-difluorobenzene;3-(2,2-dimethylpropyl)cyclopentene;4-(2,2-dimethylpropyl)-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-3-methoxybenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)thiophene has a molecular weight of 2617.97 g/mol, XLogP of 44.17, 26 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butylcyclopentane;4-(2-tert-butylcyclopropyl)-1-methylpyrazole;3-tert-butyl-5-(3,3-dimethylbutyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2-phenylethyl)pyrrolidin-2-one;1-[(4-tert-butylphenyl)methyl]pyrrolidine-2,5-dione;5-(3,3-dimethylbutyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(4,4-dimethylpentyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(2,2-dimethylpropoxy)benzonitrile;1-(2,2-dimethylpropoxy)-2,4-difluorobenzene;3-(2,2-dimethylpropyl)cyclopentene;4-(2,2-dimethylpropyl)-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-3-methoxybenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)thiophene is sourced from PubChem (CID 167584903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).