tert-butyl 2-tert-butylpyrrole-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;4-tert-butyl-3,5-dimethyl-1,2-oxazole;2-tert-butylfuran;4-tert-butyl-1,2-oxazole;bis(1-tert-butylpiperidine);2-tert-butyl-1H-pyrrole;1-tert-butylpyrrolidine;4-tert-butylthiadiazole;4-tert-butylthiomorpholine;2,2,3,3-tetramethylbutane

C102H189F2N11O5S2 — CID 157091638

About tert-butyl 2-tert-butylpyrrole-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;4-tert-butyl-3,5-dimethyl-1,2-oxazole;2-tert-butylfuran;4-tert-butyl-1,2-oxazole;bis(1-tert-butylpiperidine);2-tert-butyl-1H-pyrrole;1-tert-butylpyrrolidine;4-tert-butylthiadiazole;4-tert-butylthiomorpholine;2,2,3,3-tetramethylbutane

tert-butyl 2-tert-butylpyrrole-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;4-tert-butyl-3,5-dimethyl-1,2-oxazole;2-tert-butylfuran;4-tert-butyl-1,2-oxazole;bis(1-tert-butylpiperidine);2-tert-butyl-1H-pyrrole;1-tert-butylpyrrolidine;4-tert-butylthiadiazole;4-tert-butylthiomorpholine;2,2,3,3-tetramethylbutane (PubChem CID 157091638) has the molecular formula C102H189F2N11O5S2 and a molecular weight of 1751.84 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;2-tert-butylfuran;4-tert-butyl-1,2-oxazole;bis(1-tert-butylpiperidine);2-tert-butyl-1H-pyrrole;1-tert-butylpyrrolidine;4-tert-butylthiadiazole;4-tert-butylthiomorpholine;2,2,3,3-tetramethylbutane.

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;2-tert-butylfuran;4-tert-butyl-1,2-oxazole;bis(1-tert-butylpiperidine);2-tert-butyl-1H-pyrrole;1-tert-butylpyrrolidine;4-tert-butylthiadiazole;4-tert-butylthiomorpholine;2,2,3,3-tetramethylbutane
• PubChem CID: 157091638
• Molecular Formula: C102H189F2N11O5S2
• Molecular Weight: 1751.84 g/mol
• Exact Mass: 1750.43
• IUPAC Name: tert-butyl 2-tert-butylpyrrole-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;4-tert-butyl-3,5-dimethyl-1,2-oxazole;2-tert-butylfuran;4-tert-butyl-1,2-oxazole;bis(1-tert-butylpiperidine);2-tert-butyl-1H-pyrrole;1-tert-butylpyrrolidine;4-tert-butylthiadiazole;4-tert-butylthiomorpholine;2,2,3,3-tetramethylbutane
• SMILES: CC(C)(C)C(C)(C)C.CC(C)(C)N1CCC(F)(F)CC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCSCC1.CC(C)(C)OC(=O)n1cccc1C(C)(C)C.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccco1.CC(C)(C)c1cnoc1.CC(C)(C)c1csnn1.Cc1noc(C)c1C(C)(C)C
• InChI: InChI=1S/C13H21NO2.C9H17F2N.C9H15NO.2C9H19N.C8H17NS.C8H17N.C8H13N.C8H12O.C8H18.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;1-6-8(9(3,4)5)7(2)11-10-6;2*1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9;2*1-8(2,3)7-5-4-6-9-7;1-7(2,3)8(4,5)6;1-7(2,3)6-4-8-9-5-6;1-6(2,3)5-4-9-8-7-5/h7-9H,1-6H3;4-7H2,1-3H3;1-5H3;2*4-8H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;4-6,9H,1-3H3;4-6H,1-3H3;1-6H3;4-5H,1-3H3;4H,1-3H3
• InChIKey: AESROCGPTZSMRV-UHFFFAOYSA-N
• XLogP: 28.71
• TPSA: 154.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1751.84
LogP ≤ 5	28.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

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;2-tert-butylfuran;4-tert-butyl-1,2-oxazole;bis(1-tert-butylpiperidine);2-tert-butyl-1H-pyrrole;1-tert-butylpyrrolidine;4-tert-butylthiadiazole;4-tert-butylthiomorpholine;2,2,3,3-tetramethylbutane?

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;2-tert-butylfuran;4-tert-butyl-1,2-oxazole;bis(1-tert-butylpiperidine);2-tert-butyl-1H-pyrrole;1-tert-butylpyrrolidine;4-tert-butylthiadiazole;4-tert-butylthiomorpholine;2,2,3,3-tetramethylbutane (CID 157091638) is tert-butyl 2-tert-butylpyrrole-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;4-tert-butyl-3,5-dimethyl-1,2-oxazole;2-tert-butylfuran;4-tert-butyl-1,2-oxazole;bis(1-tert-butylpiperidine);2-tert-butyl-1H-pyrrole;1-tert-butylpyrrolidine;4-tert-butylthiadiazole;4-tert-butylthiomorpholine;2,2,3,3-tetramethylbutane.

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;2-tert-butylfuran;4-tert-butyl-1,2-oxazole;bis(1-tert-butylpiperidine);2-tert-butyl-1H-pyrrole;1-tert-butylpyrrolidine;4-tert-butylthiadiazole;4-tert-butylthiomorpholine;2,2,3,3-tetramethylbutane?

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;2-tert-butylfuran;4-tert-butyl-1,2-oxazole;bis(1-tert-butylpiperidine);2-tert-butyl-1H-pyrrole;1-tert-butylpyrrolidine;4-tert-butylthiadiazole;4-tert-butylthiomorpholine;2,2,3,3-tetramethylbutane is CC(C)(C)C(C)(C)C.CC(C)(C)N1CCC(F)(F)CC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCSCC1.CC(C)(C)OC(=O)n1cccc1C(C)(C)C.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccco1.CC(C)(C)c1cnoc1.CC(C)(C)c1csnn1.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;2-tert-butylfuran;4-tert-butyl-1,2-oxazole;bis(1-tert-butylpiperidine);2-tert-butyl-1H-pyrrole;1-tert-butylpyrrolidine;4-tert-butylthiadiazole;4-tert-butylthiomorpholine;2,2,3,3-tetramethylbutane?

The InChIKey is AESROCGPTZSMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2.C9H17F2N.C9H15NO.2C9H19N.C8H17NS.C8H17N.C8H13N.C8H12O.C8H18.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;1-6-8(9(3,4)5)7(2)11-10-6;2*1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9;2*1-8(2,3)7-5-4-6-9-7;1-7(2,3)8(4,5)6;1-7(2,3)6-4-8-9-5-6;1-6(2,3)5-4-9-8-7-5/h7-9H,1-6H3;4-7H2,1-3H3;1-5H3;2*4-8H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;4-6,9H,1-3H3;4-6H,1-3H3;1-6H3;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;2-tert-butylfuran;4-tert-butyl-1,2-oxazole;bis(1-tert-butylpiperidine);2-tert-butyl-1H-pyrrole;1-tert-butylpyrrolidine;4-tert-butylthiadiazole;4-tert-butylthiomorpholine;2,2,3,3-tetramethylbutane?

tert-butyl 2-tert-butylpyrrole-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;4-tert-butyl-3,5-dimethyl-1,2-oxazole;2-tert-butylfuran;4-tert-butyl-1,2-oxazole;bis(1-tert-butylpiperidine);2-tert-butyl-1H-pyrrole;1-tert-butylpyrrolidine;4-tert-butylthiadiazole;4-tert-butylthiomorpholine;2,2,3,3-tetramethylbutane has a molecular weight of 1751.84 g/mol, XLogP of 28.71, 0 rotatable bonds, 1 hydrogen bond donors, and 17 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;2-tert-butylfuran;4-tert-butyl-1,2-oxazole;bis(1-tert-butylpiperidine);2-tert-butyl-1H-pyrrole;1-tert-butylpyrrolidine;4-tert-butylthiadiazole;4-tert-butylthiomorpholine;2,2,3,3-tetramethylbutane is sourced from PubChem (CID 157091638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).