tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-1-ethynylcyclopropane;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;1-(2,2-dimethylpropyl)-5-phenyltetrazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2,4-oxadiazole;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine

C144H232F2N24O10S — CID 159316204

About tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-1-ethynylcyclopropane;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;1-(2,2-dimethylpropyl)-5-phenyltetrazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2,4-oxadiazole;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine

tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-1-ethynylcyclopropane;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;1-(2,2-dimethylpropyl)-5-phenyltetrazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2,4-oxadiazole;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine (PubChem CID 159316204) has the molecular formula C144H232F2N24O10S and a molecular weight of 2529.66 g/mol. Its IUPAC name is tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-1-ethynylcyclopropane;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;1-(2,2-dimethylpropyl)-5-phenyltetrazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2,4-oxadiazole;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine.

Molecular Properties

• Compound Name: tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-1-ethynylcyclopropane;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;1-(2,2-dimethylpropyl)-5-phenyltetrazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2,4-oxadiazole;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine
• PubChem CID: 159316204
• Molecular Formula: C144H232F2N24O10S
• Molecular Weight: 2529.66 g/mol
• Exact Mass: 2527.81
• IUPAC Name: tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-1-ethynylcyclopropane;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;1-(2,2-dimethylpropyl)-5-phenyltetrazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2,4-oxadiazole;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine
• SMILES: C#CC1(C(C)(C)C)CC1.CC(C)(C)C1CC1.CC(C)(C)C1CCCCC1.CC(C)(C)Cc1nnc(C2CC2)o1.CC(C)(C)Cc1nnc(C2CC2)s1.CC(C)(C)Cc1noc(-c2ccccn2)n1.CC(C)(C)Cn1nnnc1-c1ccccc1.CC(C)(C)OCc1cccnc1.CC(C)(C)OCc1ncccn1.CC(C)(C)OCn1cccn1.CC(F)(F)CN1CCC(C(C)(C)C)CC1.CC(c1nc(-c2ncccn2)no1)C(C)(C)C.CC(c1nc(C2CC2)no1)C(C)(C)C.CCOC(=O)N1CCC(=O)C(C(C)(C)C)C1
• InChI: InChI=1S/C12H23F2N.C12H16N4O.C12H16N4.C12H15N3O.C12H21NO3.C11H18N2O.C10H16N2O.C10H16N2S.C10H15NO.C10H20.C9H14N2O.C9H14.C8H14N2O.C7H14/c1-11(2,3)10-5-7-15(8-6-10)9-12(4,13)14;1-8(12(2,3)4)11-15-10(16-17-11)9-13-6-5-7-14-9;1-12(2,3)9-16-11(13-14-15-16)10-7-5-4-6-8-10;1-12(2,3)8-10-14-11(16-15-10)9-6-4-5-7-13-9;1-5-16-11(15)13-7-6-10(14)9(8-13)12(2,3)4;1-7(11(2,3)4)10-12-9(13-14-10)8-5-6-8;2*1-10(2,3)6-8-11-12-9(13-8)7-4-5-7;1-10(2,3)12-8-9-5-4-6-11-7-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)12-7-8-10-5-4-6-11-8;1-5-9(6-7-9)8(2,3)4;1-8(2,3)11-7-10-6-4-5-9-10;1-7(2,3)6-4-5-6/h10H,5-9H2,1-4H3;5-8H,1-4H3;4-8H,9H2,1-3H3;4-7H,8H2,1-3H3;9H,5-8H2,1-4H3;7-8H,5-6H2,1-4H3;2*7H,4-6H2,1-3H3;4-7H,8H2,1-3H3;9H,4-8H2,1-3H3;4-6H,7H2,1-3H3;1H,6-7H2,2-4H3;4-6H,7H2,1-3H3;6H,4-5H2,1-3H3
• InChIKey: LDDYSWGSHITRAX-UHFFFAOYSA-N
• XLogP: 36.24
• TPSA: 397.76 Ų
• H-Bond Acceptors: 34
• Rotatable Bonds: 21
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2529.66
LogP ≤ 5	36.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-1-ethynylcyclopropane;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;1-(2,2-dimethylpropyl)-5-phenyltetrazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2,4-oxadiazole;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine?

The IUPAC name of tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-1-ethynylcyclopropane;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;1-(2,2-dimethylpropyl)-5-phenyltetrazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2,4-oxadiazole;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine (CID 159316204) is tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-1-ethynylcyclopropane;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;1-(2,2-dimethylpropyl)-5-phenyltetrazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2,4-oxadiazole;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine.

What is the SMILES notation for tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-1-ethynylcyclopropane;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;1-(2,2-dimethylpropyl)-5-phenyltetrazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2,4-oxadiazole;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine?

The canonical SMILES for tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-1-ethynylcyclopropane;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;1-(2,2-dimethylpropyl)-5-phenyltetrazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2,4-oxadiazole;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine is C#CC1(C(C)(C)C)CC1.CC(C)(C)C1CC1.CC(C)(C)C1CCCCC1.CC(C)(C)Cc1nnc(C2CC2)o1.CC(C)(C)Cc1nnc(C2CC2)s1.CC(C)(C)Cc1noc(-c2ccccn2)n1.CC(C)(C)Cn1nnnc1-c1ccccc1.CC(C)(C)OCc1cccnc1.CC(C)(C)OCc1ncccn1.CC(C)(C)OCn1cccn1.CC(F)(F)CN1CCC(C(C)(C)C)CC1.CC(c1nc(-c2ncccn2)no1)C(C)(C)C.CC(c1nc(C2CC2)no1)C(C)(C)C.CCOC(=O)N1CCC(=O)C(C(C)(C)C)C1.

What is the InChIKey of tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-1-ethynylcyclopropane;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;1-(2,2-dimethylpropyl)-5-phenyltetrazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2,4-oxadiazole;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine?

The InChIKey is LDDYSWGSHITRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2N.C12H16N4O.C12H16N4.C12H15N3O.C12H21NO3.C11H18N2O.C10H16N2O.C10H16N2S.C10H15NO.C10H20.C9H14N2O.C9H14.C8H14N2O.C7H14/c1-11(2,3)10-5-7-15(8-6-10)9-12(4,13)14;1-8(12(2,3)4)11-15-10(16-17-11)9-13-6-5-7-14-9;1-12(2,3)9-16-11(13-14-15-16)10-7-5-4-6-8-10;1-12(2,3)8-10-14-11(16-15-10)9-6-4-5-7-13-9;1-5-16-11(15)13-7-6-10(14)9(8-13)12(2,3)4;1-7(11(2,3)4)10-12-9(13-14-10)8-5-6-8;2*1-10(2,3)6-8-11-12-9(13-8)7-4-5-7;1-10(2,3)12-8-9-5-4-6-11-7-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)12-7-8-10-5-4-6-11-8;1-5-9(6-7-9)8(2,3)4;1-8(2,3)11-7-10-6-4-5-9-10;1-7(2,3)6-4-5-6/h10H,5-9H2,1-4H3;5-8H,1-4H3;4-8H,9H2,1-3H3;4-7H,8H2,1-3H3;9H,5-8H2,1-4H3;7-8H,5-6H2,1-4H3;2*7H,4-6H2,1-3H3;4-7H,8H2,1-3H3;9H,4-8H2,1-3H3;4-6H,7H2,1-3H3;1H,6-7H2,2-4H3;4-6H,7H2,1-3H3;6H,4-5H2,1-3H3.

What are the key properties of tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-1-ethynylcyclopropane;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;1-(2,2-dimethylpropyl)-5-phenyltetrazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2,4-oxadiazole;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine?

tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-1-ethynylcyclopropane;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;1-(2,2-dimethylpropyl)-5-phenyltetrazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2,4-oxadiazole;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine has a molecular weight of 2529.66 g/mol, XLogP of 36.24, 21 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;1-tert-butyl-1-ethynylcyclopropane;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;1-(2,2-dimethylpropyl)-5-phenyltetrazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2,4-oxadiazole;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxymethyl]pyrazole;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine is sourced from PubChem (CID 159316204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).