tert-butyl 2-tert-butylpyrrole-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;4-tert-butyl-3,5-dimethyl-1,2-oxazole;3-tert-butyl-2-fluoropyridine;2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-2-methyl-1,3-dioxolane;5-tert-butyl-2-methyl-1,3-oxazole;2-tert-butyl-1,3-oxazole;1-tert-butylpiperazine;1-tert-butylpiperidine;5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;1-tert-butylpyrrolidine;4-tert-butylthiadiazole;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butylthiomorpholine;3-tert-butylthiophene;methyl 2,2,3,3-tetramethylbutanoate

C159H282F3N17O13S4 — CID 159673351

About tert-butyl 2-tert-butylpyrrole-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;4-tert-butyl-3,5-dimethyl-1,2-oxazole;3-tert-butyl-2-fluoropyridine;2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-2-methyl-1,3-dioxolane;5-tert-butyl-2-methyl-1,3-oxazole;2-tert-butyl-1,3-oxazole;1-tert-butylpiperazine;1-tert-butylpiperidine;5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;1-tert-butylpyrrolidine;4-tert-butylthiadiazole;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butylthiomorpholine;3-tert-butylthiophene;methyl 2,2,3,3-tetramethylbutanoate

tert-butyl 2-tert-butylpyrrole-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;4-tert-butyl-3,5-dimethyl-1,2-oxazole;3-tert-butyl-2-fluoropyridine;2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-2-methyl-1,3-dioxolane;5-tert-butyl-2-methyl-1,3-oxazole;2-tert-butyl-1,3-oxazole;1-tert-butylpiperazine;1-tert-butylpiperidine;5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;1-tert-butylpyrrolidine;4-tert-butylthiadiazole;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butylthiomorpholine;3-tert-butylthiophene;methyl 2,2,3,3-tetramethylbutanoate (PubChem CID 159673351) has the molecular formula C159H282F3N17O13S4 and a molecular weight of 2825.37 g/mol. Its IUPAC name is tert-butyl 2-tert-butylpyrrole-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;4-tert-butyl-3,5-dimethyl-1,2-oxazole;3-tert-butyl-2-fluoropyridine;2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-2-methyl-1,3-dioxolane;5-tert-butyl-2-methyl-1,3-oxazole;2-tert-butyl-1,3-oxazole;1-tert-butylpiperazine;1-tert-butylpiperidine;5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;1-tert-butylpyrrolidine;4-tert-butylthiadiazole;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butylthiomorpholine;3-tert-butylthiophene;methyl 2,2,3,3-tetramethylbutanoate.

Molecular Properties

• Compound Name: tert-butyl 2-tert-butylpyrrole-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;4-tert-butyl-3,5-dimethyl-1,2-oxazole;3-tert-butyl-2-fluoropyridine;2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-2-methyl-1,3-dioxolane;5-tert-butyl-2-methyl-1,3-oxazole;2-tert-butyl-1,3-oxazole;1-tert-butylpiperazine;1-tert-butylpiperidine;5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;1-tert-butylpyrrolidine;4-tert-butylthiadiazole;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butylthiomorpholine;3-tert-butylthiophene;methyl 2,2,3,3-tetramethylbutanoate
• PubChem CID: 159673351
• Molecular Formula: C159H282F3N17O13S4
• Molecular Weight: 2825.37 g/mol
• Exact Mass: 2823.08
• IUPAC Name: tert-butyl 2-tert-butylpyrrole-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;4-tert-butyl-3,5-dimethyl-1,2-oxazole;3-tert-butyl-2-fluoropyridine;2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-2-methyl-1,3-dioxolane;5-tert-butyl-2-methyl-1,3-oxazole;2-tert-butyl-1,3-oxazole;1-tert-butylpiperazine;1-tert-butylpiperidine;5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;1-tert-butylpyrrolidine;4-tert-butylthiadiazole;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butylthiomorpholine;3-tert-butylthiophene;methyl 2,2,3,3-tetramethylbutanoate
• SMILES: CC(C)(C)C1(C)OCCO1.CC(C)(C)N1CCC(F)(F)CC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCS(=O)(=O)CC1.CC(C)(C)N1CCSCC1.CC(C)(C)OC(=O)n1cccc1C(C)(C)C.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1cccnc1F.CC(C)(C)c1ccco1.CC(C)(C)c1ccoc1.CC(C)(C)c1ccsc1.CC(C)(C)c1cncnc1.CC(C)(C)c1csnn1.CC(C)(C)c1ncco1.COC(=O)C(C)(C)C(C)(C)C.Cc1ncc(C(C)(C)C)o1.Cc1noc(C)c1C(C)(C)C
• InChI: InChI=1S/C13H21NO2.C9H17F2N.C9H12FN.C9H15NO.C9H19N.C9H18O2.C8H12N2.C8H18N2.C8H17NO2S.C8H13NO.C8H17NS.C8H17N.C8H13N.C8H16O2.2C8H12O.C8H12S.C7H11NO.C6H10N2S/c1-12(2,3)10-8-7-9-14(10)11(15)16-13(4,5)6;1-8(2,3)12-6-4-9(10,11)5-7-12;1-9(2,3)7-5-4-6-11-8(7)10;1-6-8(9(3,4)5)7(2)11-10-6;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9(4,5)7(10)11-6;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-4-6-12(10,11)7-5-9;1-6-9-5-7(10-6)8(2,3)4;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9;1-8(2,3)7-5-4-6-9-7;1-7(2,3)8(4)9-5-6-10-8;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-8(2,3)7-4-5-9-6-7;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-4-9-8-7-5/h7-9H,1-6H3;4-7H2,1-3H3;4-6H,1-3H3;1-5H3;4-8H2,1-3H3;1-6H3;4-6H,1-3H3;9H,4-7H2,1-3H3;4-7H2,1-3H3;5H,1-4H3;4-7H2,1-3H3;4-7H2,1-3H3;4-6,9H,1-3H3;5-6H2,1-4H3;3*4-6H,1-3H3;4-5H,1-3H3;4H,1-3H3
• InChIKey: MUGVRDXSSHRYIO-UHFFFAOYSA-N
• XLogP: 40.78
• TPSA: 326.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 32
• Rotatable Bonds: 1
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2825.37
LogP ≤ 5	40.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-tert-butylpyrrole-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;4-tert-butyl-3,5-dimethyl-1,2-oxazole;3-tert-butyl-2-fluoropyridine;2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-2-methyl-1,3-dioxolane;5-tert-butyl-2-methyl-1,3-oxazole;2-tert-butyl-1,3-oxazole;1-tert-butylpiperazine;1-tert-butylpiperidine;5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;1-tert-butylpyrrolidine;4-tert-butylthiadiazole;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butylthiomorpholine;3-tert-butylthiophene;methyl 2,2,3,3-tetramethylbutanoate?

The IUPAC name of tert-butyl 2-tert-butylpyrrole-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;4-tert-butyl-3,5-dimethyl-1,2-oxazole;3-tert-butyl-2-fluoropyridine;2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-2-methyl-1,3-dioxolane;5-tert-butyl-2-methyl-1,3-oxazole;2-tert-butyl-1,3-oxazole;1-tert-butylpiperazine;1-tert-butylpiperidine;5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;1-tert-butylpyrrolidine;4-tert-butylthiadiazole;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butylthiomorpholine;3-tert-butylthiophene;methyl 2,2,3,3-tetramethylbutanoate (CID 159673351) is tert-butyl 2-tert-butylpyrrole-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;4-tert-butyl-3,5-dimethyl-1,2-oxazole;3-tert-butyl-2-fluoropyridine;2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-2-methyl-1,3-dioxolane;5-tert-butyl-2-methyl-1,3-oxazole;2-tert-butyl-1,3-oxazole;1-tert-butylpiperazine;1-tert-butylpiperidine;5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;1-tert-butylpyrrolidine;4-tert-butylthiadiazole;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butylthiomorpholine;3-tert-butylthiophene;methyl 2,2,3,3-tetramethylbutanoate.

What is the SMILES notation for tert-butyl 2-tert-butylpyrrole-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;4-tert-butyl-3,5-dimethyl-1,2-oxazole;3-tert-butyl-2-fluoropyridine;2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-2-methyl-1,3-dioxolane;5-tert-butyl-2-methyl-1,3-oxazole;2-tert-butyl-1,3-oxazole;1-tert-butylpiperazine;1-tert-butylpiperidine;5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;1-tert-butylpyrrolidine;4-tert-butylthiadiazole;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butylthiomorpholine;3-tert-butylthiophene;methyl 2,2,3,3-tetramethylbutanoate?

The canonical SMILES for tert-butyl 2-tert-butylpyrrole-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;4-tert-butyl-3,5-dimethyl-1,2-oxazole;3-tert-butyl-2-fluoropyridine;2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-2-methyl-1,3-dioxolane;5-tert-butyl-2-methyl-1,3-oxazole;2-tert-butyl-1,3-oxazole;1-tert-butylpiperazine;1-tert-butylpiperidine;5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;1-tert-butylpyrrolidine;4-tert-butylthiadiazole;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butylthiomorpholine;3-tert-butylthiophene;methyl 2,2,3,3-tetramethylbutanoate is CC(C)(C)C1(C)OCCO1.CC(C)(C)N1CCC(F)(F)CC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCS(=O)(=O)CC1.CC(C)(C)N1CCSCC1.CC(C)(C)OC(=O)n1cccc1C(C)(C)C.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1cccnc1F.CC(C)(C)c1ccco1.CC(C)(C)c1ccoc1.CC(C)(C)c1ccsc1.CC(C)(C)c1cncnc1.CC(C)(C)c1csnn1.CC(C)(C)c1ncco1.COC(=O)C(C)(C)C(C)(C)C.Cc1ncc(C(C)(C)C)o1.Cc1noc(C)c1C(C)(C)C.

What is the InChIKey of tert-butyl 2-tert-butylpyrrole-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;4-tert-butyl-3,5-dimethyl-1,2-oxazole;3-tert-butyl-2-fluoropyridine;2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-2-methyl-1,3-dioxolane;5-tert-butyl-2-methyl-1,3-oxazole;2-tert-butyl-1,3-oxazole;1-tert-butylpiperazine;1-tert-butylpiperidine;5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;1-tert-butylpyrrolidine;4-tert-butylthiadiazole;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butylthiomorpholine;3-tert-butylthiophene;methyl 2,2,3,3-tetramethylbutanoate?

The InChIKey is MUGVRDXSSHRYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2.C9H17F2N.C9H12FN.C9H15NO.C9H19N.C9H18O2.C8H12N2.C8H18N2.C8H17NO2S.C8H13NO.C8H17NS.C8H17N.C8H13N.C8H16O2.2C8H12O.C8H12S.C7H11NO.C6H10N2S/c1-12(2,3)10-8-7-9-14(10)11(15)16-13(4,5)6;1-8(2,3)12-6-4-9(10,11)5-7-12;1-9(2,3)7-5-4-6-11-8(7)10;1-6-8(9(3,4)5)7(2)11-10-6;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9(4,5)7(10)11-6;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-4-6-12(10,11)7-5-9;1-6-9-5-7(10-6)8(2,3)4;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9;1-8(2,3)7-5-4-6-9-7;1-7(2,3)8(4)9-5-6-10-8;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-8(2,3)7-4-5-9-6-7;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-4-9-8-7-5/h7-9H,1-6H3;4-7H2,1-3H3;4-6H,1-3H3;1-5H3;4-8H2,1-3H3;1-6H3;4-6H,1-3H3;9H,4-7H2,1-3H3;4-7H2,1-3H3;5H,1-4H3;4-7H2,1-3H3;4-7H2,1-3H3;4-6,9H,1-3H3;5-6H2,1-4H3;3*4-6H,1-3H3;4-5H,1-3H3;4H,1-3H3.

What are the key properties of tert-butyl 2-tert-butylpyrrole-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;4-tert-butyl-3,5-dimethyl-1,2-oxazole;3-tert-butyl-2-fluoropyridine;2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-2-methyl-1,3-dioxolane;5-tert-butyl-2-methyl-1,3-oxazole;2-tert-butyl-1,3-oxazole;1-tert-butylpiperazine;1-tert-butylpiperidine;5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;1-tert-butylpyrrolidine;4-tert-butylthiadiazole;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butylthiomorpholine;3-tert-butylthiophene;methyl 2,2,3,3-tetramethylbutanoate?

tert-butyl 2-tert-butylpyrrole-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;4-tert-butyl-3,5-dimethyl-1,2-oxazole;3-tert-butyl-2-fluoropyridine;2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-2-methyl-1,3-dioxolane;5-tert-butyl-2-methyl-1,3-oxazole;2-tert-butyl-1,3-oxazole;1-tert-butylpiperazine;1-tert-butylpiperidine;5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;1-tert-butylpyrrolidine;4-tert-butylthiadiazole;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butylthiomorpholine;3-tert-butylthiophene;methyl 2,2,3,3-tetramethylbutanoate has a molecular weight of 2825.37 g/mol, XLogP of 40.78, 1 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-tert-butylpyrrole-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;4-tert-butyl-3,5-dimethyl-1,2-oxazole;3-tert-butyl-2-fluoropyridine;2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-2-methyl-1,3-dioxolane;5-tert-butyl-2-methyl-1,3-oxazole;2-tert-butyl-1,3-oxazole;1-tert-butylpiperazine;1-tert-butylpiperidine;5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;1-tert-butylpyrrolidine;4-tert-butylthiadiazole;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butylthiomorpholine;3-tert-butylthiophene;methyl 2,2,3,3-tetramethylbutanoate is sourced from PubChem (CID 159673351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).