tert-butylcyclopentane;3-tert-butyl-5-(3,3-dimethylbutyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2-phenylethyl)pyrrolidin-2-one;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;3-(2,2-dimethylpropyl)cyclopentene;4-(2,2-dimethylpropyl)-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)thiophene;methane

C114H191N9O7S — CID 157276618

About tert-butylcyclopentane;3-tert-butyl-5-(3,3-dimethylbutyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2-phenylethyl)pyrrolidin-2-one;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;3-(2,2-dimethylpropyl)cyclopentene;4-(2,2-dimethylpropyl)-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)thiophene;methane

tert-butylcyclopentane;3-tert-butyl-5-(3,3-dimethylbutyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2-phenylethyl)pyrrolidin-2-one;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;3-(2,2-dimethylpropyl)cyclopentene;4-(2,2-dimethylpropyl)-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)thiophene;methane (PubChem CID 157276618) has the molecular formula C114H191N9O7S and a molecular weight of 1831.90 g/mol. Its IUPAC name is tert-butylcyclopentane;3-tert-butyl-5-(3,3-dimethylbutyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2-phenylethyl)pyrrolidin-2-one;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;3-(2,2-dimethylpropyl)cyclopentene;4-(2,2-dimethylpropyl)-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)thiophene;methane.

Molecular Properties

• Compound Name: tert-butylcyclopentane;3-tert-butyl-5-(3,3-dimethylbutyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2-phenylethyl)pyrrolidin-2-one;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;3-(2,2-dimethylpropyl)cyclopentene;4-(2,2-dimethylpropyl)-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)thiophene;methane
• PubChem CID: 157276618
• Molecular Formula: C114H191N9O7S
• Molecular Weight: 1831.90 g/mol
• Exact Mass: 1830.46
• IUPAC Name: tert-butylcyclopentane;3-tert-butyl-5-(3,3-dimethylbutyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2-phenylethyl)pyrrolidin-2-one;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;3-(2,2-dimethylpropyl)cyclopentene;4-(2,2-dimethylpropyl)-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)thiophene;methane
• SMILES: C.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)COc1ccccc1C#N.CC(C)(C)Cc1cccs1.CC(C)c1noc(CCC(C)(C)C)n1.CC(C)c1noc(CCCC(C)(C)C)n1.COc1ccc(CC(C)(C)C)cc1.Cc1noc(C)c1CC(C)(C)C
• InChI: InChI=1S/C16H23NO.2C12H22N2O.C12H15NO.C12H18O.C11H20N2O.C10H17NO.C10H18.C9H14S.C9H18.CH4/c1-16(2,3)14-11-15(18)17(12-14)10-9-13-7-5-4-6-8-13;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;1-8(2)10-12-9(14-13-10)6-7-11(3,4)5;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;7-8H2,1-6H3;9H,6-8H2,1-5H3;4-7H,9H2,1-3H3;5-8H,9H2,1-4H3;8H,6-7H2,1-5H3;6H2,1-5H3;4,6,9H,5,7-8H2,1-3H3;4-6H,7H2,1-3H3;8H,4-7H2,1-3H3;1H4
• InChIKey: AZEJPRQPXIQQRA-UHFFFAOYSA-N
• XLogP: 32.93
• TPSA: 205.35 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 19
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1831.90
LogP ≤ 5	32.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butylcyclopentane;3-tert-butyl-5-(3,3-dimethylbutyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2-phenylethyl)pyrrolidin-2-one;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;3-(2,2-dimethylpropyl)cyclopentene;4-(2,2-dimethylpropyl)-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)thiophene;methane?

The IUPAC name of tert-butylcyclopentane;3-tert-butyl-5-(3,3-dimethylbutyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2-phenylethyl)pyrrolidin-2-one;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;3-(2,2-dimethylpropyl)cyclopentene;4-(2,2-dimethylpropyl)-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)thiophene;methane (CID 157276618) is tert-butylcyclopentane;3-tert-butyl-5-(3,3-dimethylbutyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2-phenylethyl)pyrrolidin-2-one;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;3-(2,2-dimethylpropyl)cyclopentene;4-(2,2-dimethylpropyl)-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)thiophene;methane.

What is the SMILES notation for tert-butylcyclopentane;3-tert-butyl-5-(3,3-dimethylbutyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2-phenylethyl)pyrrolidin-2-one;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;3-(2,2-dimethylpropyl)cyclopentene;4-(2,2-dimethylpropyl)-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)thiophene;methane?

The canonical SMILES for tert-butylcyclopentane;3-tert-butyl-5-(3,3-dimethylbutyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2-phenylethyl)pyrrolidin-2-one;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;3-(2,2-dimethylpropyl)cyclopentene;4-(2,2-dimethylpropyl)-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)thiophene;methane is C.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)COc1ccccc1C#N.CC(C)(C)Cc1cccs1.CC(C)c1noc(CCC(C)(C)C)n1.CC(C)c1noc(CCCC(C)(C)C)n1.COc1ccc(CC(C)(C)C)cc1.Cc1noc(C)c1CC(C)(C)C.

What is the InChIKey of tert-butylcyclopentane;3-tert-butyl-5-(3,3-dimethylbutyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2-phenylethyl)pyrrolidin-2-one;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;3-(2,2-dimethylpropyl)cyclopentene;4-(2,2-dimethylpropyl)-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)thiophene;methane?

The InChIKey is AZEJPRQPXIQQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO.2C12H22N2O.C12H15NO.C12H18O.C11H20N2O.C10H17NO.C10H18.C9H14S.C9H18.CH4/c1-16(2,3)14-11-15(18)17(12-14)10-9-13-7-5-4-6-8-13;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;1-8(2)10-12-9(14-13-10)6-7-11(3,4)5;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;7-8H2,1-6H3;9H,6-8H2,1-5H3;4-7H,9H2,1-3H3;5-8H,9H2,1-4H3;8H,6-7H2,1-5H3;6H2,1-5H3;4,6,9H,5,7-8H2,1-3H3;4-6H,7H2,1-3H3;8H,4-7H2,1-3H3;1H4.

What are the key properties of tert-butylcyclopentane;3-tert-butyl-5-(3,3-dimethylbutyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2-phenylethyl)pyrrolidin-2-one;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;3-(2,2-dimethylpropyl)cyclopentene;4-(2,2-dimethylpropyl)-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)thiophene;methane?

tert-butylcyclopentane;3-tert-butyl-5-(3,3-dimethylbutyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2-phenylethyl)pyrrolidin-2-one;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;3-(2,2-dimethylpropyl)cyclopentene;4-(2,2-dimethylpropyl)-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)thiophene;methane has a molecular weight of 1831.90 g/mol, XLogP of 32.93, 19 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butylcyclopentane;3-tert-butyl-5-(3,3-dimethylbutyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2-phenylethyl)pyrrolidin-2-one;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;3-(2,2-dimethylpropyl)cyclopentene;4-(2,2-dimethylpropyl)-3,5-dimethyl-1,2-oxazole;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)thiophene;methane is sourced from PubChem (CID 157276618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).