2-tert-butyl-1,3-dimethylimidazol-1-ium;4-tert-butyl-1-ethylimidazole;2-tert-butyl-5-ethyl-1,3-thiazole;4-[2-(2-tert-butylimidazol-1-yl)ethyl]morpholine;2-tert-butyl-6-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;bis(4-tert-butyl-1-methylimidazole);bis(5-tert-butyl-1-methylimidazole);(2-tert-butyl-3-methyl-1H-imidazol-3-ium-4-yl)methanol;5-tert-butyl-1-methyl-1,2,4-triazole;6-tert-butylpyridine-2-carbaldehyde;2-tert-butyl-3H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;bis(2-tert-butylthiophene);carbon dioxide;ethyl 2-tert-butyl-1,3-thiazole-4-carboxylate

C167H276N30O9S5+2 — CID 158779456

IUPAC2-tert-butyl-1,3-dimethylimidazol-1-ium;4-tert-butyl-1-ethylimidazole;2-tert-butyl-5-ethyl-1,3-thiazole;4-[2-(2-tert-butylimidazol-1-yl)ethyl]morpholine;2-tert-butyl-6-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;bis(4-tert-butyl-1-methylimidazole);bis(5-tert-butyl-1-methylimidazole);(2-tert-butyl-3-methyl-1H-imidazol-3-ium-4-yl)methanol;5-tert-butyl-1-methyl-1,2,4-triazole;6-tert-butylpyridine-2-carbaldehyde;2-tert-butyl-3H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;bis(2-tert-butylthiophene);carbon dioxide;ethyl 2-tert-butyl-1,3-thiazole-4-carboxylate
SMILESCC(C)(C)C1=NC=CC1.CC(C)(C)c1cccc(C=O)n1.CC(C)(C)c1cccs1.CC(C)(C)c1cccs1.CC(C)(C)c1nccn1CCN1CCOCC1.CC(C)(C)c1nncs1.CCOC(=O)c1csc(C(C)(C)C)n1.CCc1cnc(C(C)(C)C)s1.CCn1cnc(C(C)(C)C)c1.COc1ccc(C(C)(C)C)cn1.COc1cccc(C(C)(C)C)n1.C[n+]1c(CO)c[nH]c1C(C)(C)C.Cn1cc[n+](C)c1C(C)(C)C.Cn1ccnc1C(C)(C)C.Cn1cnc(C(C)(C)C)c1.Cn1cnc(C(C)(C)C)c1.Cn1cncc1C(C)(C)C.Cn1cncc1C(C)(C)C.Cn1ncnc1C(C)(C)C.O=C=O
InChIInChI=1S/C13H23N3O.C10H15NO2S.2C10H15NO.C10H13NO.C9H16N2O.C9H17N2.C9H16N2.C9H15NS.5C8H14N2.C8H13N.2C8H12S.C7H13N3.C6H10N2S.CO2/c1-13(2,3)12-14-4-5-16(12)7-6-15-8-10-17-11-9-15;1-5-13-8(12)7-6-14-9(11-7)10(2,3)4;1-10(2,3)8-5-6-9(12-4)11-7-8;1-10(2,3)8-6-5-7-9(11-8)12-4;1-10(2,3)9-6-4-5-8(7-12)11-9;1-9(2,3)8-10-5-7(6-12)11(8)4;1-9(2,3)8-10(4)6-7-11(8)5;1-5-11-6-8(10-7-11)9(2,3)4;1-5-7-6-10-8(11-7)9(2,3)4;2*1-8(2,3)7-5-10(4)6-9-7;2*1-8(2,3)7-5-9-6-10(7)4;1-8(2,3)7-9-5-6-10(7)4;3*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-8-5-9-10(6)4;1-6(2,3)5-8-7-4-9-5;2-1-3/h4-5H,6-11H2,1-3H3;6H,5H2,1-4H3;2*5-7H,1-4H3;4-7H,1-3H3;5,12H,6H2,1-4H3;6-7H,1-5H3;6-7H,5H2,1-4H3;6H,5H2,1-4H3;5*5-6H,1-4H3;4,6H,5H2,1-3H3;2*4-6H,1-3H3;5H,1-4H3;4H,1-3H3;/q;;;;;;+1;;;;;;;;;;;;;/p+1
InChIKeyOHSUDGJFRGEORR-UHFFFAOYSA-O
MW3008.58 g/mol
LogP37.51
Rot. Bonds11

About 2-tert-butyl-1,3-dimethylimidazol-1-ium;4-tert-butyl-1-ethylimidazole;2-tert-butyl-5-ethyl-1,3-thiazole;4-[2-(2-tert-butylimidazol-1-yl)ethyl]morpholine;2-tert-butyl-6-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;bis(4-tert-butyl-1-methylimidazole);bis(5-tert-butyl-1-methylimidazole);(2-tert-butyl-3-methyl-1H-imidazol-3-ium-4-yl)methanol;5-tert-butyl-1-methyl-1,2,4-triazole;6-tert-butylpyridine-2-carbaldehyde;2-tert-butyl-3H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;bis(2-tert-butylthiophene);carbon dioxide;ethyl 2-tert-butyl-1,3-thiazole-4-carboxylate

2-tert-butyl-1,3-dimethylimidazol-1-ium;4-tert-butyl-1-ethylimidazole;2-tert-butyl-5-ethyl-1,3-thiazole;4-[2-(2-tert-butylimidazol-1-yl)ethyl]morpholine;2-tert-butyl-6-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;bis(4-tert-butyl-1-methylimidazole);bis(5-tert-butyl-1-methylimidazole);(2-tert-butyl-3-methyl-1H-imidazol-3-ium-4-yl)methanol;5-tert-butyl-1-methyl-1,2,4-triazole;6-tert-butylpyridine-2-carbaldehyde;2-tert-butyl-3H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;bis(2-tert-butylthiophene);carbon dioxide;ethyl 2-tert-butyl-1,3-thiazole-4-carboxylate (PubChem CID 158779456) has the molecular formula C167H276N30O9S5+2 and a molecular weight of 3008.58 g/mol. Its IUPAC name is 2-tert-butyl-1,3-dimethylimidazol-1-ium;4-tert-butyl-1-ethylimidazole;2-tert-butyl-5-ethyl-1,3-thiazole;4-[2-(2-tert-butylimidazol-1-yl)ethyl]morpholine;2-tert-butyl-6-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;bis(4-tert-butyl-1-methylimidazole);bis(5-tert-butyl-1-methylimidazole);(2-tert-butyl-3-methyl-1H-imidazol-3-ium-4-yl)methanol;5-tert-butyl-1-methyl-1,2,4-triazole;6-tert-butylpyridine-2-carbaldehyde;2-tert-butyl-3H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;bis(2-tert-butylthiophene);carbon dioxide;ethyl 2-tert-butyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name2-tert-butyl-1,3-dimethylimidazol-1-ium;4-tert-butyl-1-ethylimidazole;2-tert-butyl-5-ethyl-1,3-thiazole;4-[2-(2-tert-butylimidazol-1-yl)ethyl]morpholine;2-tert-butyl-6-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;bis(4-tert-butyl-1-methylimidazole);bis(5-tert-butyl-1-methylimidazole);(2-tert-butyl-3-methyl-1H-imidazol-3-ium-4-yl)methanol;5-tert-butyl-1-methyl-1,2,4-triazole;6-tert-butylpyridine-2-carbaldehyde;2-tert-butyl-3H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;bis(2-tert-butylthiophene);carbon dioxide;ethyl 2-tert-butyl-1,3-thiazole-4-carboxylate
PubChem CID158779456
Molecular FormulaC167H276N30O9S5+2
Molecular Weight3008.58 g/mol
Exact Mass3006.07
IUPAC Name2-tert-butyl-1,3-dimethylimidazol-1-ium;4-tert-butyl-1-ethylimidazole;2-tert-butyl-5-ethyl-1,3-thiazole;4-[2-(2-tert-butylimidazol-1-yl)ethyl]morpholine;2-tert-butyl-6-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;bis(4-tert-butyl-1-methylimidazole);bis(5-tert-butyl-1-methylimidazole);(2-tert-butyl-3-methyl-1H-imidazol-3-ium-4-yl)methanol;5-tert-butyl-1-methyl-1,2,4-triazole;6-tert-butylpyridine-2-carbaldehyde;2-tert-butyl-3H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;bis(2-tert-butylthiophene);carbon dioxide;ethyl 2-tert-butyl-1,3-thiazole-4-carboxylate
SMILESCC(C)(C)C1=NC=CC1.CC(C)(C)c1cccc(C=O)n1.CC(C)(C)c1cccs1.CC(C)(C)c1cccs1.CC(C)(C)c1nccn1CCN1CCOCC1.CC(C)(C)c1nncs1.CCOC(=O)c1csc(C(C)(C)C)n1.CCc1cnc(C(C)(C)C)s1.CCn1cnc(C(C)(C)C)c1.COc1ccc(C(C)(C)C)cn1.COc1cccc(C(C)(C)C)n1.C[n+]1c(CO)c[nH]c1C(C)(C)C.Cn1cc[n+](C)c1C(C)(C)C.Cn1ccnc1C(C)(C)C.Cn1cnc(C(C)(C)C)c1.Cn1cnc(C(C)(C)C)c1.Cn1cncc1C(C)(C)C.Cn1cncc1C(C)(C)C.Cn1ncnc1C(C)(C)C.O=C=O
InChIInChI=1S/C13H23N3O.C10H15NO2S.2C10H15NO.C10H13NO.C9H16N2O.C9H17N2.C9H16N2.C9H15NS.5C8H14N2.C8H13N.2C8H12S.C7H13N3.C6H10N2S.CO2/c1-13(2,3)12-14-4-5-16(12)7-6-15-8-10-17-11-9-15;1-5-13-8(12)7-6-14-9(11-7)10(2,3)4;1-10(2,3)8-5-6-9(12-4)11-7-8;1-10(2,3)8-6-5-7-9(11-8)12-4;1-10(2,3)9-6-4-5-8(7-12)11-9;1-9(2,3)8-10-5-7(6-12)11(8)4;1-9(2,3)8-10(4)6-7-11(8)5;1-5-11-6-8(10-7-11)9(2,3)4;1-5-7-6-10-8(11-7)9(2,3)4;2*1-8(2,3)7-5-10(4)6-9-7;2*1-8(2,3)7-5-9-6-10(7)4;1-8(2,3)7-9-5-6-10(7)4;3*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-8-5-9-10(6)4;1-6(2,3)5-8-7-4-9-5;2-1-3/h4-5H,6-11H2,1-3H3;6H,5H2,1-4H3;2*5-7H,1-4H3;4-7H,1-3H3;5,12H,6H2,1-4H3;6-7H,1-5H3;6-7H,5H2,1-4H3;6H,5H2,1-4H3;5*5-6H,1-4H3;4,6H,5H2,1-3H3;2*4-6H,1-3H3;5H,1-4H3;4H,1-3H3;/q;;;;;;+1;;;;;;;;;;;;;/p+1
InChIKeyOHSUDGJFRGEORR-UHFFFAOYSA-O
XLogP37.51
TPSA415.19 Ų
H-Bond Donors2
H-Bond Acceptors41
Rotatable Bonds11
Heavy Atoms211
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003008.58
LogP ≤ 537.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-tert-butyl-1,3-dimethylimidazol-1-ium;4-tert-butyl-1-ethylimidazole;2-tert-butyl-5-ethyl-1,3-thiazole;4-[2-(2-tert-butylimidazol-1-yl)ethyl]morpholine;2-tert-butyl-6-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;bis(4-tert-butyl-1-methylimidazole);bis(5-tert-butyl-1-methylimidazole);(2-tert-butyl-3-methyl-1H-imidazol-3-ium-4-yl)methanol;5-tert-butyl-1-methyl-1,2,4-triazole;6-tert-butylpyridine-2-carbaldehyde;2-tert-butyl-3H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;bis(2-tert-butylthiophene);carbon dioxide;ethyl 2-tert-butyl-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

4-chloro-1-methylpyrazole;bis(1,2-dimethylimidazole);1,5-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;tris(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;3,4-dimethyl-1,2,4-triazole;methane;1-methylimidazole;2-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;1-methylpyrazole;3-methyl-3H-pyrazole;4-methyl-1H-pyrazole;1-methyltetrazole;2-methyltetrazole;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-1,2,4-triazole;1-methyltriazole-4-carboxamide;1-methyl-3H-1,2,4-triazol-1-ium;(1-methyltriazol-4-yl)methanamine;(1-methyltriazol-4-yl)methanol
CID 160759674
ethyl 2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-4-carboxylate
CID 78919756
4-tert-butyl-2,6-dimethylpyridine;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-isocyanobenzene;4-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyrimidine;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-3-methylpyridazine;2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-2-methylpyrimidine;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylethanamine;4-tert-butyl-2-propan-2-ylpyridine;4-tert-butyl-1H-pyrazole;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-1H-pyridin-2-one;5-tert-butylpyrimidin-2-amine;5-tert-butylpyrimidine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
CID 158134458
butan-2-one;tris(2-tert-butyl-1H-imidazole);2-tert-butyl-1-methylimidazole;2-tert-butyl-4-methyl-1,3-thiazole;tris(2-tert-butyl-1,3-oxazole);2-tert-butyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole;bis(N-methylacetamide);methyl acetate;methyl pyridine-2-carboxylate
CID 160688976
2,2-bis(6-methoxy-2-pyridinyl)-4-morpholin-4-yl-1-pyrrolidin-1-ylbutan-1-one
CID 110173895
ethyl 4-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxylate
CID 17121387
1-tert-butyl-2-chlorobenzene;1-tert-butyl-4-chlorobenzene;2-tert-butyl-6-chloro-1,3-benzothiazole;2-tert-butyl-5-chloro-1,3-thiazole;2-tert-butyl-4,5-dimethyl-1H-imidazole;1-tert-butyl-2-fluoro-3-(trifluoromethyl)benzene;1-tert-butyl-2-fluoro-4-(trifluoromethyl)benzene;2-tert-butyl-1-fluoro-3-(trifluoromethyl)benzene;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-5-(2-methylpropyl)thiophene;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;bis(3-tert-butyl-5-methyl-1H-1,2,4-triazole);5-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole;N-(6-tert-butyl-3-pyridinyl)propanamide;3-tert-butyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;2-tert-butyl-1,3-thiazole;4-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthiophene;1-(5-tert-butylthiophen-2-yl)ethanone;3-(5-tert-butylthiophen-2-yl)-1,2-oxazole;carbon dioxide;3,3-dimethylbutanenitrile
CID 176516753
ethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 55333508
lithium;sodium;ethyl 6-chloropyrimidine-4-carboxylate;ethyl 6-imidazol-1-ylpyrimidine-4-carboxylate;hydride;1H-imidazole;6-imidazol-1-ylpyrimidine-4-carboxylic acid;methane;oxolane;hydroxide
CID 159345867
[5-[5-(2-hydroxypropan-2-yl)-2-methyl-7-[[3-(1-methylimidazol-2-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxyphenyl]-(1,4-oxazepan-4-yl)methanone
CID 139340605
6-[2-(ethylamino)-4-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;formic acid;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
CID 158136871
4-methoxy-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 112683355

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3-dimethylimidazol-1-ium;4-tert-butyl-1-ethylimidazole;2-tert-butyl-5-ethyl-1,3-thiazole;4-[2-(2-tert-butylimidazol-1-yl)ethyl]morpholine;2-tert-butyl-6-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;bis(4-tert-butyl-1-methylimidazole);bis(5-tert-butyl-1-methylimidazole);(2-tert-butyl-3-methyl-1H-imidazol-3-ium-4-yl)methanol;5-tert-butyl-1-methyl-1,2,4-triazole;6-tert-butylpyridine-2-carbaldehyde;2-tert-butyl-3H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;bis(2-tert-butylthiophene);carbon dioxide;ethyl 2-tert-butyl-1,3-thiazole-4-carboxylate?
The IUPAC name of 2-tert-butyl-1,3-dimethylimidazol-1-ium;4-tert-butyl-1-ethylimidazole;2-tert-butyl-5-ethyl-1,3-thiazole;4-[2-(2-tert-butylimidazol-1-yl)ethyl]morpholine;2-tert-butyl-6-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;bis(4-tert-butyl-1-methylimidazole);bis(5-tert-butyl-1-methylimidazole);(2-tert-butyl-3-methyl-1H-imidazol-3-ium-4-yl)methanol;5-tert-butyl-1-methyl-1,2,4-triazole;6-tert-butylpyridine-2-carbaldehyde;2-tert-butyl-3H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;bis(2-tert-butylthiophene);carbon dioxide;ethyl 2-tert-butyl-1,3-thiazole-4-carboxylate (CID 158779456) is 2-tert-butyl-1,3-dimethylimidazol-1-ium;4-tert-butyl-1-ethylimidazole;2-tert-butyl-5-ethyl-1,3-thiazole;4-[2-(2-tert-butylimidazol-1-yl)ethyl]morpholine;2-tert-butyl-6-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;bis(4-tert-butyl-1-methylimidazole);bis(5-tert-butyl-1-methylimidazole);(2-tert-butyl-3-methyl-1H-imidazol-3-ium-4-yl)methanol;5-tert-butyl-1-methyl-1,2,4-triazole;6-tert-butylpyridine-2-carbaldehyde;2-tert-butyl-3H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;bis(2-tert-butylthiophene);carbon dioxide;ethyl 2-tert-butyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for 2-tert-butyl-1,3-dimethylimidazol-1-ium;4-tert-butyl-1-ethylimidazole;2-tert-butyl-5-ethyl-1,3-thiazole;4-[2-(2-tert-butylimidazol-1-yl)ethyl]morpholine;2-tert-butyl-6-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;bis(4-tert-butyl-1-methylimidazole);bis(5-tert-butyl-1-methylimidazole);(2-tert-butyl-3-methyl-1H-imidazol-3-ium-4-yl)methanol;5-tert-butyl-1-methyl-1,2,4-triazole;6-tert-butylpyridine-2-carbaldehyde;2-tert-butyl-3H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;bis(2-tert-butylthiophene);carbon dioxide;ethyl 2-tert-butyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for 2-tert-butyl-1,3-dimethylimidazol-1-ium;4-tert-butyl-1-ethylimidazole;2-tert-butyl-5-ethyl-1,3-thiazole;4-[2-(2-tert-butylimidazol-1-yl)ethyl]morpholine;2-tert-butyl-6-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;bis(4-tert-butyl-1-methylimidazole);bis(5-tert-butyl-1-methylimidazole);(2-tert-butyl-3-methyl-1H-imidazol-3-ium-4-yl)methanol;5-tert-butyl-1-methyl-1,2,4-triazole;6-tert-butylpyridine-2-carbaldehyde;2-tert-butyl-3H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;bis(2-tert-butylthiophene);carbon dioxide;ethyl 2-tert-butyl-1,3-thiazole-4-carboxylate is CC(C)(C)C1=NC=CC1.CC(C)(C)c1cccc(C=O)n1.CC(C)(C)c1cccs1.CC(C)(C)c1cccs1.CC(C)(C)c1nccn1CCN1CCOCC1.CC(C)(C)c1nncs1.CCOC(=O)c1csc(C(C)(C)C)n1.CCc1cnc(C(C)(C)C)s1.CCn1cnc(C(C)(C)C)c1.COc1ccc(C(C)(C)C)cn1.COc1cccc(C(C)(C)C)n1.C[n+]1c(CO)c[nH]c1C(C)(C)C.Cn1cc[n+](C)c1C(C)(C)C.Cn1ccnc1C(C)(C)C.Cn1cnc(C(C)(C)C)c1.Cn1cnc(C(C)(C)C)c1.Cn1cncc1C(C)(C)C.Cn1cncc1C(C)(C)C.Cn1ncnc1C(C)(C)C.O=C=O.
What is the InChIKey of 2-tert-butyl-1,3-dimethylimidazol-1-ium;4-tert-butyl-1-ethylimidazole;2-tert-butyl-5-ethyl-1,3-thiazole;4-[2-(2-tert-butylimidazol-1-yl)ethyl]morpholine;2-tert-butyl-6-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;bis(4-tert-butyl-1-methylimidazole);bis(5-tert-butyl-1-methylimidazole);(2-tert-butyl-3-methyl-1H-imidazol-3-ium-4-yl)methanol;5-tert-butyl-1-methyl-1,2,4-triazole;6-tert-butylpyridine-2-carbaldehyde;2-tert-butyl-3H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;bis(2-tert-butylthiophene);carbon dioxide;ethyl 2-tert-butyl-1,3-thiazole-4-carboxylate?
The InChIKey is OHSUDGJFRGEORR-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H23N3O.C10H15NO2S.2C10H15NO.C10H13NO.C9H16N2O.C9H17N2.C9H16N2.C9H15NS.5C8H14N2.C8H13N.2C8H12S.C7H13N3.C6H10N2S.CO2/c1-13(2,3)12-14-4-5-16(12)7-6-15-8-10-17-11-9-15;1-5-13-8(12)7-6-14-9(11-7)10(2,3)4;1-10(2,3)8-5-6-9(12-4)11-7-8;1-10(2,3)8-6-5-7-9(11-8)12-4;1-10(2,3)9-6-4-5-8(7-12)11-9;1-9(2,3)8-10-5-7(6-12)11(8)4;1-9(2,3)8-10(4)6-7-11(8)5;1-5-11-6-8(10-7-11)9(2,3)4;1-5-7-6-10-8(11-7)9(2,3)4;2*1-8(2,3)7-5-10(4)6-9-7;2*1-8(2,3)7-5-9-6-10(7)4;1-8(2,3)7-9-5-6-10(7)4;3*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-8-5-9-10(6)4;1-6(2,3)5-8-7-4-9-5;2-1-3/h4-5H,6-11H2,1-3H3;6H,5H2,1-4H3;2*5-7H,1-4H3;4-7H,1-3H3;5,12H,6H2,1-4H3;6-7H,1-5H3;6-7H,5H2,1-4H3;6H,5H2,1-4H3;5*5-6H,1-4H3;4,6H,5H2,1-3H3;2*4-6H,1-3H3;5H,1-4H3;4H,1-3H3;/q;;;;;;+1;;;;;;;;;;;;;/p+1.
What are the key properties of 2-tert-butyl-1,3-dimethylimidazol-1-ium;4-tert-butyl-1-ethylimidazole;2-tert-butyl-5-ethyl-1,3-thiazole;4-[2-(2-tert-butylimidazol-1-yl)ethyl]morpholine;2-tert-butyl-6-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;bis(4-tert-butyl-1-methylimidazole);bis(5-tert-butyl-1-methylimidazole);(2-tert-butyl-3-methyl-1H-imidazol-3-ium-4-yl)methanol;5-tert-butyl-1-methyl-1,2,4-triazole;6-tert-butylpyridine-2-carbaldehyde;2-tert-butyl-3H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;bis(2-tert-butylthiophene);carbon dioxide;ethyl 2-tert-butyl-1,3-thiazole-4-carboxylate?
2-tert-butyl-1,3-dimethylimidazol-1-ium;4-tert-butyl-1-ethylimidazole;2-tert-butyl-5-ethyl-1,3-thiazole;4-[2-(2-tert-butylimidazol-1-yl)ethyl]morpholine;2-tert-butyl-6-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;bis(4-tert-butyl-1-methylimidazole);bis(5-tert-butyl-1-methylimidazole);(2-tert-butyl-3-methyl-1H-imidazol-3-ium-4-yl)methanol;5-tert-butyl-1-methyl-1,2,4-triazole;6-tert-butylpyridine-2-carbaldehyde;2-tert-butyl-3H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;bis(2-tert-butylthiophene);carbon dioxide;ethyl 2-tert-butyl-1,3-thiazole-4-carboxylate has a molecular weight of 3008.58 g/mol, XLogP of 37.51, 11 rotatable bonds, 2 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,3-dimethylimidazol-1-ium;4-tert-butyl-1-ethylimidazole;2-tert-butyl-5-ethyl-1,3-thiazole;4-[2-(2-tert-butylimidazol-1-yl)ethyl]morpholine;2-tert-butyl-6-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;bis(4-tert-butyl-1-methylimidazole);bis(5-tert-butyl-1-methylimidazole);(2-tert-butyl-3-methyl-1H-imidazol-3-ium-4-yl)methanol;5-tert-butyl-1-methyl-1,2,4-triazole;6-tert-butylpyridine-2-carbaldehyde;2-tert-butyl-3H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;bis(2-tert-butylthiophene);carbon dioxide;ethyl 2-tert-butyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 158779456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).