tert-butylbenzene;2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1H-pyrazole;bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);2-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;4-tert-butyl-2H-pyrrole;1-tert-butyl-4,5,6,7-tetrahydroindole;2-tert-butyl-4,5,6,7-tetrahydro-1H-indole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-1,2-thiazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1H-1,2,4-triazole

C211H336N42O3S3 — CID 167648076

IUPACtert-butylbenzene;2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1H-pyrazole;bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);2-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;4-tert-butyl-2H-pyrrole;1-tert-butyl-4,5,6,7-tetrahydroindole;2-tert-butyl-4,5,6,7-tetrahydro-1H-indole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-1,2-thiazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1H-1,2,4-triazole
SMILESCC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCN=C1.CC(C)(C)c1cc2c([nH]1)CCCC2.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccno1.CC(C)(C)c1ccns1.CC(C)(C)c1cn[nH]n1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnoc1.CC(C)(C)c1cnsc1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncccn1.CC(C)(C)c1ncn[nH]1.CC(C)(C)n1ccc2c1CCCC2.CC(C)(C)n1cccc1.CC(C)c1ccon1.CC(C)c1ccsn1.CC(C)c1ncn[nH]1.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1ccnn1.CC(C)n1cncn1
InChIInChI=1S/2C12H19N.C10H14.4C9H13N.C9H14.C8H12N2.3C8H13N.3C7H12N2.2C7H11NO.2C7H11NS.2C6H11N3.2C6H10N2.C6H9NO.C6H9NS.3C5H9N3/c1-12(2,3)13-9-8-10-6-4-5-7-11(10)13;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-10(2,3)9-7-5-4-6-8-9;2*1-9(2,3)8-5-4-6-10-7-8;2*1-9(2,3)8-6-4-5-7-10-8;1-9(2,3)8-6-4-5-7-8;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-4-5-9-6-7;1-8(2,3)9-6-4-5-7-9;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-5-8-9-6;1-6(2,3)5-7-4-8-9-5;1-6(2,3)5-4-7-9-8-5;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;2*1-5(2)6-3-4-8-7-6;1-5(2)8-4-6-3-7-8;1-5(2)8-4-3-6-7-8;1-4(2)5-6-3-7-8-5/h8-9H,4-7H2,1-3H3;8,13H,4-7H2,1-3H3;4-8H,1-3H3;4*4-7H,1-3H3;4,6-7H,5H2,1-3H3;4-6H,1-3H3;4,6H,5H2,1-3H3;4-7H,1-3H3;4-6,9H,1-3H3;3*4-5H,1-3H3,(H,8,9);4*4-5H,1-3H3;2*4H,1-3H3,(H,7,8,9);2*3-6H,1-2H3;4*3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8)
InChIKeyQDZDKEVUOLENGR-UHFFFAOYSA-N
MW3605.50 g/mol
LogP55.89
Rot. Bonds7

About tert-butylbenzene;2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1H-pyrazole;bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);2-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;4-tert-butyl-2H-pyrrole;1-tert-butyl-4,5,6,7-tetrahydroindole;2-tert-butyl-4,5,6,7-tetrahydro-1H-indole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-1,2-thiazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1H-1,2,4-triazole

tert-butylbenzene;2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1H-pyrazole;bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);2-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;4-tert-butyl-2H-pyrrole;1-tert-butyl-4,5,6,7-tetrahydroindole;2-tert-butyl-4,5,6,7-tetrahydro-1H-indole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-1,2-thiazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1H-1,2,4-triazole (PubChem CID 167648076) has the molecular formula C211H336N42O3S3 and a molecular weight of 3605.50 g/mol. Its IUPAC name is tert-butylbenzene;2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1H-pyrazole;bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);2-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;4-tert-butyl-2H-pyrrole;1-tert-butyl-4,5,6,7-tetrahydroindole;2-tert-butyl-4,5,6,7-tetrahydro-1H-indole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-1,2-thiazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1H-1,2,4-triazole.

Molecular Properties

Compound Nametert-butylbenzene;2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1H-pyrazole;bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);2-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;4-tert-butyl-2H-pyrrole;1-tert-butyl-4,5,6,7-tetrahydroindole;2-tert-butyl-4,5,6,7-tetrahydro-1H-indole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-1,2-thiazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1H-1,2,4-triazole
PubChem CID167648076
Molecular FormulaC211H336N42O3S3
Molecular Weight3605.50 g/mol
Exact Mass3602.66
IUPAC Nametert-butylbenzene;2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1H-pyrazole;bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);2-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;4-tert-butyl-2H-pyrrole;1-tert-butyl-4,5,6,7-tetrahydroindole;2-tert-butyl-4,5,6,7-tetrahydro-1H-indole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-1,2-thiazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1H-1,2,4-triazole
SMILESCC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCN=C1.CC(C)(C)c1cc2c([nH]1)CCCC2.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccno1.CC(C)(C)c1ccns1.CC(C)(C)c1cn[nH]n1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnoc1.CC(C)(C)c1cnsc1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncccn1.CC(C)(C)c1ncn[nH]1.CC(C)(C)n1ccc2c1CCCC2.CC(C)(C)n1cccc1.CC(C)c1ccon1.CC(C)c1ccsn1.CC(C)c1ncn[nH]1.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1ccnn1.CC(C)n1cncn1
InChIInChI=1S/2C12H19N.C10H14.4C9H13N.C9H14.C8H12N2.3C8H13N.3C7H12N2.2C7H11NO.2C7H11NS.2C6H11N3.2C6H10N2.C6H9NO.C6H9NS.3C5H9N3/c1-12(2,3)13-9-8-10-6-4-5-7-11(10)13;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-10(2,3)9-7-5-4-6-8-9;2*1-9(2,3)8-5-4-6-10-7-8;2*1-9(2,3)8-6-4-5-7-10-8;1-9(2,3)8-6-4-5-7-8;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-4-5-9-6-7;1-8(2,3)9-6-4-5-7-9;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-5-8-9-6;1-6(2,3)5-7-4-8-9-5;1-6(2,3)5-4-7-9-8-5;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;2*1-5(2)6-3-4-8-7-6;1-5(2)8-4-6-3-7-8;1-5(2)8-4-3-6-7-8;1-4(2)5-6-3-7-8-5/h8-9H,4-7H2,1-3H3;8,13H,4-7H2,1-3H3;4-8H,1-3H3;4*4-7H,1-3H3;4,6-7H,5H2,1-3H3;4-6H,1-3H3;4,6H,5H2,1-3H3;4-7H,1-3H3;4-6,9H,1-3H3;3*4-5H,1-3H3,(H,8,9);4*4-5H,1-3H3;2*4H,1-3H3,(H,7,8,9);2*3-6H,1-2H3;4*3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8)
InChIKeyQDZDKEVUOLENGR-UHFFFAOYSA-N
XLogP55.89
TPSA555.71 Ų
H-Bond Donors8
H-Bond Acceptors40
Rotatable Bonds7
Heavy Atoms259
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003605.50
LogP ≤ 555.89
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1040

Analyze tert-butylbenzene;2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1H-pyrazole;bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);2-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;4-tert-butyl-2H-pyrrole;1-tert-butyl-4,5,6,7-tetrahydroindole;2-tert-butyl-4,5,6,7-tetrahydro-1H-indole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-1,2-thiazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1H-1,2,4-triazole with MolForge

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Launch Full Analysis

Related Compounds

3,5-diethyl-4-propan-2-yl-1H-pyrazole;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;3-methylbutan-2-ylbenzene;2-methyl-3-propan-2-ylpyrazine;2-methylpropylbenzene;4-(2-methylpropyl)-1,2-oxazole;3-propan-2-yl-2-pyrrolidin-1-ylpyridine
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3-[6-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-4-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-5-(2H-triazol-4-yl)cyclohexa-1,5-dien-1-yl]-1,2-oxazole
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3-[1-[[6-(1,2-oxazol-3-yl)-4-(7H-purin-2-yl)-2-pyrazin-2-yl-3-quinazolin-2-yl-5-(1,2-thiazol-3-yl)-2H-pyridin-1-yl]oxy]-4-(7H-purin-2-yl)-2-pyrazin-2-yl-3-quinazolin-2-yl-5-(1,2-thiazol-3-yl)-2H-pyridin-6-yl]-1,2-oxazole
CID 141107816
CID 157138509
CID 157138509
benzene;ethane;1H-imidazole;nonakis(2-methylpropane);1,2-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole;pyrazine;pyridazine;pyridine;pyrimidine;1,2-thiazole;1,2,4-triazine
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tert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butylimidazole;4-tert-butylmorpholine;4-tert-butyl-1,2-oxazole;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;2-tert-butylpyridine;5-tert-butylpyrimidine;1-tert-butylpyrrolidine;1-tert-butyl-2,3,4,7-tetrahydropyrrolo[3,4-b]pyridine;4-tert-butylthiadiazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;4-tert-butylthiomorpholine;2-tert-butyltriazole;ethane;methane;7-methyl-1H-isoindole;3-methylpyridine;4-methylpyridine
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2-Tert-butyl-3-methyl-1,2-oxazol-2-ium;2-tert-butyl-1-methylquinolin-1-ium;2-tert-butyl-1,2-oxazol-2-ium;2-tert-butyl-3-phenyltetrazol-2-ium;1-tert-butylpyrimidin-1-ium;1-tert-butylquinolin-1-ium;1-tert-butylquinoxalin-1-ium;2-tert-butyl-1,2-thiazol-2-ium
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6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;(Z)-2-tert-butylbut-2-ene-1,4-diimine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;4-tert-butyl-1H-indole;5-tert-butyl-1,2-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-1H-pyrrolo[3,2-b]pyridine;5-tert-butyl-1,2-thiazole;3-tert-butylthieno[2,3-b]pyridine;3-tert-butylthieno[3,2-c]pyridine;3-propan-2-yl-1,2-oxazole
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CID 158307817
CID 158307817
1,3-dimethylbicyclo[1.1.1]pentane;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;bis(1,4-dimethylpyrazole);4,5-dimethyl-1H-pyrazole;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;bis(1,5-dimethylpyridin-2-one);2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;4,5-dimethyl-1,2-thiazole;1,2-xylene;1,3-xylene
CID 158389926

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1H-pyrazole;bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);2-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;4-tert-butyl-2H-pyrrole;1-tert-butyl-4,5,6,7-tetrahydroindole;2-tert-butyl-4,5,6,7-tetrahydro-1H-indole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-1,2-thiazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1H-1,2,4-triazole?
The IUPAC name of tert-butylbenzene;2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1H-pyrazole;bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);2-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;4-tert-butyl-2H-pyrrole;1-tert-butyl-4,5,6,7-tetrahydroindole;2-tert-butyl-4,5,6,7-tetrahydro-1H-indole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-1,2-thiazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1H-1,2,4-triazole (CID 167648076) is tert-butylbenzene;2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1H-pyrazole;bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);2-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;4-tert-butyl-2H-pyrrole;1-tert-butyl-4,5,6,7-tetrahydroindole;2-tert-butyl-4,5,6,7-tetrahydro-1H-indole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-1,2-thiazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1H-1,2,4-triazole.
What is the SMILES notation for tert-butylbenzene;2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1H-pyrazole;bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);2-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;4-tert-butyl-2H-pyrrole;1-tert-butyl-4,5,6,7-tetrahydroindole;2-tert-butyl-4,5,6,7-tetrahydro-1H-indole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-1,2-thiazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1H-1,2,4-triazole?
The canonical SMILES for tert-butylbenzene;2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1H-pyrazole;bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);2-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;4-tert-butyl-2H-pyrrole;1-tert-butyl-4,5,6,7-tetrahydroindole;2-tert-butyl-4,5,6,7-tetrahydro-1H-indole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-1,2-thiazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1H-1,2,4-triazole is CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCN=C1.CC(C)(C)c1cc2c([nH]1)CCCC2.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccno1.CC(C)(C)c1ccns1.CC(C)(C)c1cn[nH]n1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnoc1.CC(C)(C)c1cnsc1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncccn1.CC(C)(C)c1ncn[nH]1.CC(C)(C)n1ccc2c1CCCC2.CC(C)(C)n1cccc1.CC(C)c1ccon1.CC(C)c1ccsn1.CC(C)c1ncn[nH]1.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1ccnn1.CC(C)n1cncn1.
What is the InChIKey of tert-butylbenzene;2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1H-pyrazole;bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);2-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;4-tert-butyl-2H-pyrrole;1-tert-butyl-4,5,6,7-tetrahydroindole;2-tert-butyl-4,5,6,7-tetrahydro-1H-indole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-1,2-thiazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1H-1,2,4-triazole?
The InChIKey is QDZDKEVUOLENGR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H19N.C10H14.4C9H13N.C9H14.C8H12N2.3C8H13N.3C7H12N2.2C7H11NO.2C7H11NS.2C6H11N3.2C6H10N2.C6H9NO.C6H9NS.3C5H9N3/c1-12(2,3)13-9-8-10-6-4-5-7-11(10)13;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-10(2,3)9-7-5-4-6-8-9;2*1-9(2,3)8-5-4-6-10-7-8;2*1-9(2,3)8-6-4-5-7-10-8;1-9(2,3)8-6-4-5-7-8;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-4-5-9-6-7;1-8(2,3)9-6-4-5-7-9;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-5-8-9-6;1-6(2,3)5-7-4-8-9-5;1-6(2,3)5-4-7-9-8-5;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;2*1-5(2)6-3-4-8-7-6;1-5(2)8-4-6-3-7-8;1-5(2)8-4-3-6-7-8;1-4(2)5-6-3-7-8-5/h8-9H,4-7H2,1-3H3;8,13H,4-7H2,1-3H3;4-8H,1-3H3;4*4-7H,1-3H3;4,6-7H,5H2,1-3H3;4-6H,1-3H3;4,6H,5H2,1-3H3;4-7H,1-3H3;4-6,9H,1-3H3;3*4-5H,1-3H3,(H,8,9);4*4-5H,1-3H3;2*4H,1-3H3,(H,7,8,9);2*3-6H,1-2H3;4*3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8).
What are the key properties of tert-butylbenzene;2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1H-pyrazole;bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);2-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;4-tert-butyl-2H-pyrrole;1-tert-butyl-4,5,6,7-tetrahydroindole;2-tert-butyl-4,5,6,7-tetrahydro-1H-indole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-1,2-thiazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1H-1,2,4-triazole?
tert-butylbenzene;2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1H-pyrazole;bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);2-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;4-tert-butyl-2H-pyrrole;1-tert-butyl-4,5,6,7-tetrahydroindole;2-tert-butyl-4,5,6,7-tetrahydro-1H-indole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-1,2-thiazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1H-1,2,4-triazole has a molecular weight of 3605.50 g/mol, XLogP of 55.89, 7 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1H-pyrazole;bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);2-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;4-tert-butyl-2H-pyrrole;1-tert-butyl-4,5,6,7-tetrahydroindole;2-tert-butyl-4,5,6,7-tetrahydro-1H-indole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-1,2-thiazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1H-1,2,4-triazole is sourced from PubChem (CID 167648076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).