tert-butyl 2-tert-butylpyrrole-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;2-tert-butyl-2,4-dimethyl-1,3-dioxolane;4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-3,5-dimethyl-1,2-oxazole;3-tert-butyl-2-fluoropyridine;2-tert-butylfuran;2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-4-methyloxane;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methyltetrazole;4-tert-butyloxane;1-tert-butylpiperazine;bis(1-tert-butylpiperidine);5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;1-tert-butylpyrrolidine;4-tert-butylthiadiazole;4-tert-butylthiomorpholine;2-tert-butyl-2,4,5-trimethyl-1,3-dioxolane;methyl 2,2,3,3-tetramethylbutanoate;2-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;4-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;5-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole

C220H405F3N26O18S2 — CID 158320091

IUPACtert-butyl 2-tert-butylpyrrole-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;2-tert-butyl-2,4-dimethyl-1,3-dioxolane;4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-3,5-dimethyl-1,2-oxazole;3-tert-butyl-2-fluoropyridine;2-tert-butylfuran;2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-4-methyloxane;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methyltetrazole;4-tert-butyloxane;1-tert-butylpiperazine;bis(1-tert-butylpiperidine);5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;1-tert-butylpyrrolidine;4-tert-butylthiadiazole;4-tert-butylthiomorpholine;2-tert-butyl-2,4,5-trimethyl-1,3-dioxolane;methyl 2,2,3,3-tetramethylbutanoate;2-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;4-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;5-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole
SMILESCC(C)(C)C(C)(C)c1cnco1.CC(C)(C)C(C)(C)c1cocn1.CC(C)(C)C(C)(C)c1ncco1.CC(C)(C)C1(C)CCOCC1.CC(C)(C)C1CCOCC1.CC(C)(C)N1CCC(F)(F)CC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.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)c1cncnc1.CC(C)(C)c1csnn1.CC1CN(C(C)(C)C)CC(C)O1.CC1COC(C)(C(C)(C)C)O1.CC1OC(C)(C(C)(C)C)OC1C.COC(=O)C(C)(C)C(C)(C)C.Cc1ncoc1C(C)(C)C.Cc1nnc(C(C)(C)C)o1.Cc1noc(C)c1C(C)(C)C.Cn1nnnc1C(C)(C)C
InChIInChI=1S/C13H21NO2.2C10H17NO.C10H21NO.C10H17NO.C10H20O2.C10H20O.C9H17F2N.C9H12FN.C9H15NO.2C9H19N.2C9H18O2.C9H18O.C8H12N2.C8H18N2.C8H13NO.C8H17NS.C8H17N.C8H13N.C8H12O.C7H12N2O.C6H12N4.C6H10N2S/c1-12(2,3)10-8-7-9-14(10)11(15)16-13(4,5)6;1-9(2,3)10(4,5)8-6-12-7-11-8;1-9(2,3)10(4,5)8-6-11-7-12-8;1-8-6-11(10(3,4)5)7-9(2)12-8;1-9(2,3)10(4,5)8-11-6-7-12-8;1-7-8(2)12-10(6,11-7)9(3,4)5;1-9(2,3)10(4)5-7-11-8-6-10;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;2*1-9(2,3)10-7-5-4-6-8-10;1-7-6-10-9(5,11-7)8(2,3)4;1-8(2,3)9(4,5)7(10)11-6;1-9(2,3)8-4-6-10-7-5-8;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)10-6-4-9-5-7-10;1-6-7(8(2,3)4)10-5-9-6;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;1-5-8-9-6(10-5)7(2,3)4;1-6(2,3)5-7-8-9-10(5)4;1-6(2,3)5-4-9-8-7-5/h7-9H,1-6H3;2*6-7H,1-5H3;8-9H,6-7H2,1-5H3;6-7H,1-5H3;7-8H,1-6H3;5-8H2,1-4H3;4-7H2,1-3H3;4-6H,1-3H3;1-5H3;2*4-8H2,1-3H3;7H,6H2,1-5H3;1-6H3;8H,4-7H2,1-3H3;4-6H,1-3H3;9H,4-7H2,1-3H3;5H,1-4H3;4-7H2,1-3H3;4-7H2,1-3H3;4-6,9H,1-3H3;4-6H,1-3H3;2*1-4H3;4H,1-3H3
InChIKeyGOSXMYGBODRGTQ-UHFFFAOYSA-N
MW3823.95 g/mol
LogP56.29
Rot. Bonds4

About tert-butyl 2-tert-butylpyrrole-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;2-tert-butyl-2,4-dimethyl-1,3-dioxolane;4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-3,5-dimethyl-1,2-oxazole;3-tert-butyl-2-fluoropyridine;2-tert-butylfuran;2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-4-methyloxane;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methyltetrazole;4-tert-butyloxane;1-tert-butylpiperazine;bis(1-tert-butylpiperidine);5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;1-tert-butylpyrrolidine;4-tert-butylthiadiazole;4-tert-butylthiomorpholine;2-tert-butyl-2,4,5-trimethyl-1,3-dioxolane;methyl 2,2,3,3-tetramethylbutanoate;2-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;4-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;5-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole

tert-butyl 2-tert-butylpyrrole-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;2-tert-butyl-2,4-dimethyl-1,3-dioxolane;4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-3,5-dimethyl-1,2-oxazole;3-tert-butyl-2-fluoropyridine;2-tert-butylfuran;2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-4-methyloxane;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methyltetrazole;4-tert-butyloxane;1-tert-butylpiperazine;bis(1-tert-butylpiperidine);5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;1-tert-butylpyrrolidine;4-tert-butylthiadiazole;4-tert-butylthiomorpholine;2-tert-butyl-2,4,5-trimethyl-1,3-dioxolane;methyl 2,2,3,3-tetramethylbutanoate;2-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;4-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;5-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole (PubChem CID 158320091) has the molecular formula C220H405F3N26O18S2 and a molecular weight of 3823.95 g/mol. Its IUPAC name is tert-butyl 2-tert-butylpyrrole-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;2-tert-butyl-2,4-dimethyl-1,3-dioxolane;4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-3,5-dimethyl-1,2-oxazole;3-tert-butyl-2-fluoropyridine;2-tert-butylfuran;2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-4-methyloxane;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methyltetrazole;4-tert-butyloxane;1-tert-butylpiperazine;bis(1-tert-butylpiperidine);5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;1-tert-butylpyrrolidine;4-tert-butylthiadiazole;4-tert-butylthiomorpholine;2-tert-butyl-2,4,5-trimethyl-1,3-dioxolane;methyl 2,2,3,3-tetramethylbutanoate;2-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;4-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;5-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole.

Molecular Properties

Compound Nametert-butyl 2-tert-butylpyrrole-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;2-tert-butyl-2,4-dimethyl-1,3-dioxolane;4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-3,5-dimethyl-1,2-oxazole;3-tert-butyl-2-fluoropyridine;2-tert-butylfuran;2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-4-methyloxane;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methyltetrazole;4-tert-butyloxane;1-tert-butylpiperazine;bis(1-tert-butylpiperidine);5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;1-tert-butylpyrrolidine;4-tert-butylthiadiazole;4-tert-butylthiomorpholine;2-tert-butyl-2,4,5-trimethyl-1,3-dioxolane;methyl 2,2,3,3-tetramethylbutanoate;2-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;4-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;5-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole
PubChem CID158320091
Molecular FormulaC220H405F3N26O18S2
Molecular Weight3823.95 g/mol
Exact Mass3821.10
IUPAC Nametert-butyl 2-tert-butylpyrrole-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;2-tert-butyl-2,4-dimethyl-1,3-dioxolane;4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-3,5-dimethyl-1,2-oxazole;3-tert-butyl-2-fluoropyridine;2-tert-butylfuran;2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-4-methyloxane;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methyltetrazole;4-tert-butyloxane;1-tert-butylpiperazine;bis(1-tert-butylpiperidine);5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;1-tert-butylpyrrolidine;4-tert-butylthiadiazole;4-tert-butylthiomorpholine;2-tert-butyl-2,4,5-trimethyl-1,3-dioxolane;methyl 2,2,3,3-tetramethylbutanoate;2-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;4-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;5-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole
SMILESCC(C)(C)C(C)(C)c1cnco1.CC(C)(C)C(C)(C)c1cocn1.CC(C)(C)C(C)(C)c1ncco1.CC(C)(C)C1(C)CCOCC1.CC(C)(C)C1CCOCC1.CC(C)(C)N1CCC(F)(F)CC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.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)c1cncnc1.CC(C)(C)c1csnn1.CC1CN(C(C)(C)C)CC(C)O1.CC1COC(C)(C(C)(C)C)O1.CC1OC(C)(C(C)(C)C)OC1C.COC(=O)C(C)(C)C(C)(C)C.Cc1ncoc1C(C)(C)C.Cc1nnc(C(C)(C)C)o1.Cc1noc(C)c1C(C)(C)C.Cn1nnnc1C(C)(C)C
InChIInChI=1S/C13H21NO2.2C10H17NO.C10H21NO.C10H17NO.C10H20O2.C10H20O.C9H17F2N.C9H12FN.C9H15NO.2C9H19N.2C9H18O2.C9H18O.C8H12N2.C8H18N2.C8H13NO.C8H17NS.C8H17N.C8H13N.C8H12O.C7H12N2O.C6H12N4.C6H10N2S/c1-12(2,3)10-8-7-9-14(10)11(15)16-13(4,5)6;1-9(2,3)10(4,5)8-6-12-7-11-8;1-9(2,3)10(4,5)8-6-11-7-12-8;1-8-6-11(10(3,4)5)7-9(2)12-8;1-9(2,3)10(4,5)8-11-6-7-12-8;1-7-8(2)12-10(6,11-7)9(3,4)5;1-9(2,3)10(4)5-7-11-8-6-10;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;2*1-9(2,3)10-7-5-4-6-8-10;1-7-6-10-9(5,11-7)8(2,3)4;1-8(2,3)9(4,5)7(10)11-6;1-9(2,3)8-4-6-10-7-5-8;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)10-6-4-9-5-7-10;1-6-7(8(2,3)4)10-5-9-6;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;1-5-8-9-6(10-5)7(2,3)4;1-6(2,3)5-7-8-9-10(5)4;1-6(2,3)5-4-9-8-7-5/h7-9H,1-6H3;2*6-7H,1-5H3;8-9H,6-7H2,1-5H3;6-7H,1-5H3;7-8H,1-6H3;5-8H2,1-4H3;4-7H2,1-3H3;4-6H,1-3H3;1-5H3;2*4-8H2,1-3H3;7H,6H2,1-5H3;1-6H3;8H,4-7H2,1-3H3;4-6H,1-3H3;9H,4-7H2,1-3H3;5H,1-4H3;4-7H2,1-3H3;4-7H2,1-3H3;4-6,9H,1-3H3;4-6H,1-3H3;2*1-4H3;4H,1-3H3
InChIKeyGOSXMYGBODRGTQ-UHFFFAOYSA-N
XLogP56.29
TPSA462.90 Ų
H-Bond Donors2
H-Bond Acceptors45
Rotatable Bonds4
Heavy Atoms269
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003823.95
LogP ≤ 556.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

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

Analyze tert-butyl 2-tert-butylpyrrole-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;2-tert-butyl-2,4-dimethyl-1,3-dioxolane;4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-3,5-dimethyl-1,2-oxazole;3-tert-butyl-2-fluoropyridine;2-tert-butylfuran;2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-4-methyloxane;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methyltetrazole;4-tert-butyloxane;1-tert-butylpiperazine;bis(1-tert-butylpiperidine);5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;1-tert-butylpyrrolidine;4-tert-butylthiadiazole;4-tert-butylthiomorpholine;2-tert-butyl-2,4,5-trimethyl-1,3-dioxolane;methyl 2,2,3,3-tetramethylbutanoate;2-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;4-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;5-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-tert-butylpyrrole-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;2-tert-butyl-2,4-dimethyl-1,3-dioxolane;4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-3,5-dimethyl-1,2-oxazole;3-tert-butyl-2-fluoropyridine;2-tert-butylfuran;2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-4-methyloxane;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methyltetrazole;4-tert-butyloxane;1-tert-butylpiperazine;bis(1-tert-butylpiperidine);5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;1-tert-butylpyrrolidine;4-tert-butylthiadiazole;4-tert-butylthiomorpholine;2-tert-butyl-2,4,5-trimethyl-1,3-dioxolane;methyl 2,2,3,3-tetramethylbutanoate;2-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;4-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;5-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole?
The IUPAC name of tert-butyl 2-tert-butylpyrrole-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;2-tert-butyl-2,4-dimethyl-1,3-dioxolane;4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-3,5-dimethyl-1,2-oxazole;3-tert-butyl-2-fluoropyridine;2-tert-butylfuran;2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-4-methyloxane;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methyltetrazole;4-tert-butyloxane;1-tert-butylpiperazine;bis(1-tert-butylpiperidine);5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;1-tert-butylpyrrolidine;4-tert-butylthiadiazole;4-tert-butylthiomorpholine;2-tert-butyl-2,4,5-trimethyl-1,3-dioxolane;methyl 2,2,3,3-tetramethylbutanoate;2-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;4-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;5-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole (CID 158320091) is tert-butyl 2-tert-butylpyrrole-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;2-tert-butyl-2,4-dimethyl-1,3-dioxolane;4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-3,5-dimethyl-1,2-oxazole;3-tert-butyl-2-fluoropyridine;2-tert-butylfuran;2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-4-methyloxane;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methyltetrazole;4-tert-butyloxane;1-tert-butylpiperazine;bis(1-tert-butylpiperidine);5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;1-tert-butylpyrrolidine;4-tert-butylthiadiazole;4-tert-butylthiomorpholine;2-tert-butyl-2,4,5-trimethyl-1,3-dioxolane;methyl 2,2,3,3-tetramethylbutanoate;2-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;4-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;5-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole.
What is the SMILES notation for tert-butyl 2-tert-butylpyrrole-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;2-tert-butyl-2,4-dimethyl-1,3-dioxolane;4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-3,5-dimethyl-1,2-oxazole;3-tert-butyl-2-fluoropyridine;2-tert-butylfuran;2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-4-methyloxane;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methyltetrazole;4-tert-butyloxane;1-tert-butylpiperazine;bis(1-tert-butylpiperidine);5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;1-tert-butylpyrrolidine;4-tert-butylthiadiazole;4-tert-butylthiomorpholine;2-tert-butyl-2,4,5-trimethyl-1,3-dioxolane;methyl 2,2,3,3-tetramethylbutanoate;2-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;4-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;5-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole?
The canonical SMILES for tert-butyl 2-tert-butylpyrrole-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;2-tert-butyl-2,4-dimethyl-1,3-dioxolane;4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-3,5-dimethyl-1,2-oxazole;3-tert-butyl-2-fluoropyridine;2-tert-butylfuran;2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-4-methyloxane;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methyltetrazole;4-tert-butyloxane;1-tert-butylpiperazine;bis(1-tert-butylpiperidine);5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;1-tert-butylpyrrolidine;4-tert-butylthiadiazole;4-tert-butylthiomorpholine;2-tert-butyl-2,4,5-trimethyl-1,3-dioxolane;methyl 2,2,3,3-tetramethylbutanoate;2-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;4-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;5-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole is CC(C)(C)C(C)(C)c1cnco1.CC(C)(C)C(C)(C)c1cocn1.CC(C)(C)C(C)(C)c1ncco1.CC(C)(C)C1(C)CCOCC1.CC(C)(C)C1CCOCC1.CC(C)(C)N1CCC(F)(F)CC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.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)c1cncnc1.CC(C)(C)c1csnn1.CC1CN(C(C)(C)C)CC(C)O1.CC1COC(C)(C(C)(C)C)O1.CC1OC(C)(C(C)(C)C)OC1C.COC(=O)C(C)(C)C(C)(C)C.Cc1ncoc1C(C)(C)C.Cc1nnc(C(C)(C)C)o1.Cc1noc(C)c1C(C)(C)C.Cn1nnnc1C(C)(C)C.
What is the InChIKey of tert-butyl 2-tert-butylpyrrole-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;2-tert-butyl-2,4-dimethyl-1,3-dioxolane;4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-3,5-dimethyl-1,2-oxazole;3-tert-butyl-2-fluoropyridine;2-tert-butylfuran;2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-4-methyloxane;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methyltetrazole;4-tert-butyloxane;1-tert-butylpiperazine;bis(1-tert-butylpiperidine);5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;1-tert-butylpyrrolidine;4-tert-butylthiadiazole;4-tert-butylthiomorpholine;2-tert-butyl-2,4,5-trimethyl-1,3-dioxolane;methyl 2,2,3,3-tetramethylbutanoate;2-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;4-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;5-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole?
The InChIKey is GOSXMYGBODRGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2.2C10H17NO.C10H21NO.C10H17NO.C10H20O2.C10H20O.C9H17F2N.C9H12FN.C9H15NO.2C9H19N.2C9H18O2.C9H18O.C8H12N2.C8H18N2.C8H13NO.C8H17NS.C8H17N.C8H13N.C8H12O.C7H12N2O.C6H12N4.C6H10N2S/c1-12(2,3)10-8-7-9-14(10)11(15)16-13(4,5)6;1-9(2,3)10(4,5)8-6-12-7-11-8;1-9(2,3)10(4,5)8-6-11-7-12-8;1-8-6-11(10(3,4)5)7-9(2)12-8;1-9(2,3)10(4,5)8-11-6-7-12-8;1-7-8(2)12-10(6,11-7)9(3,4)5;1-9(2,3)10(4)5-7-11-8-6-10;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;2*1-9(2,3)10-7-5-4-6-8-10;1-7-6-10-9(5,11-7)8(2,3)4;1-8(2,3)9(4,5)7(10)11-6;1-9(2,3)8-4-6-10-7-5-8;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)10-6-4-9-5-7-10;1-6-7(8(2,3)4)10-5-9-6;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;1-5-8-9-6(10-5)7(2,3)4;1-6(2,3)5-7-8-9-10(5)4;1-6(2,3)5-4-9-8-7-5/h7-9H,1-6H3;2*6-7H,1-5H3;8-9H,6-7H2,1-5H3;6-7H,1-5H3;7-8H,1-6H3;5-8H2,1-4H3;4-7H2,1-3H3;4-6H,1-3H3;1-5H3;2*4-8H2,1-3H3;7H,6H2,1-5H3;1-6H3;8H,4-7H2,1-3H3;4-6H,1-3H3;9H,4-7H2,1-3H3;5H,1-4H3;4-7H2,1-3H3;4-7H2,1-3H3;4-6,9H,1-3H3;4-6H,1-3H3;2*1-4H3;4H,1-3H3.
What are the key properties of tert-butyl 2-tert-butylpyrrole-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;2-tert-butyl-2,4-dimethyl-1,3-dioxolane;4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-3,5-dimethyl-1,2-oxazole;3-tert-butyl-2-fluoropyridine;2-tert-butylfuran;2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-4-methyloxane;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methyltetrazole;4-tert-butyloxane;1-tert-butylpiperazine;bis(1-tert-butylpiperidine);5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;1-tert-butylpyrrolidine;4-tert-butylthiadiazole;4-tert-butylthiomorpholine;2-tert-butyl-2,4,5-trimethyl-1,3-dioxolane;methyl 2,2,3,3-tetramethylbutanoate;2-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;4-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;5-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole?
tert-butyl 2-tert-butylpyrrole-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;2-tert-butyl-2,4-dimethyl-1,3-dioxolane;4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-3,5-dimethyl-1,2-oxazole;3-tert-butyl-2-fluoropyridine;2-tert-butylfuran;2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-4-methyloxane;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methyltetrazole;4-tert-butyloxane;1-tert-butylpiperazine;bis(1-tert-butylpiperidine);5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;1-tert-butylpyrrolidine;4-tert-butylthiadiazole;4-tert-butylthiomorpholine;2-tert-butyl-2,4,5-trimethyl-1,3-dioxolane;methyl 2,2,3,3-tetramethylbutanoate;2-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;4-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;5-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole has a molecular weight of 3823.95 g/mol, XLogP of 56.29, 4 rotatable bonds, 2 hydrogen bond donors, and 45 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;2-tert-butyl-2,4-dimethyl-1,3-dioxolane;4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-3,5-dimethyl-1,2-oxazole;3-tert-butyl-2-fluoropyridine;2-tert-butylfuran;2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-4-methyloxane;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methyltetrazole;4-tert-butyloxane;1-tert-butylpiperazine;bis(1-tert-butylpiperidine);5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;1-tert-butylpyrrolidine;4-tert-butylthiadiazole;4-tert-butylthiomorpholine;2-tert-butyl-2,4,5-trimethyl-1,3-dioxolane;methyl 2,2,3,3-tetramethylbutanoate;2-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;4-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;5-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole is sourced from PubChem (CID 158320091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).