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;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;3-methylpyridine;4-methylpyridine

C221H442N30O2S5 — CID 158645388

IUPACtert-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;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;3-methylpyridine;4-methylpyridine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C1CCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CC(C)(C)N1CCSCC1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnn1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccns1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cncnc1.CC(C)(C)c1cnoc1.CC(C)(C)c1cnsc1.CC(C)(C)c1csnn1.CC(C)(C)c1nccs1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CC(C)(C)n1nccn1.Cc1cccnc1.Cc1ccncc1
InChIInChI=1S/C10H20.C10H14.C9H19N.C9H13N.C9H18.C8H12N2.C8H18N2.C8H12N2.C8H17NO.C8H17NS.C8H17N.4C7H12N2.C7H11NO.3C7H11NS.C6H11N3.C6H10N2S.2C6H7N.23C2H6/c2*1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)10-7-5-4-6-8-10;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)7-4-9-6-10-5-7;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)7-5-4-6-9-10-7;2*1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9;1-7(2,3)6-4-8-9-5-6;1-7(2,3)9-5-4-8-6-9;1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-4-5-8-9-6;2*1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-8-9-6;1-6(2,3)9-7-4-5-8-9;1-6(2,3)5-4-9-8-7-5;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;23*1-2/h9H,4-8H2,1-3H3;4-8H,1-3H3;4-8H2,1-3H3;4-7H,1-3H3;8H,4-7H2,1-3H3;4-6H,1-3H3;9H,4-7H2,1-3H3;4-6H,1-3H3;2*4-7H2,1-3H3;4-7H2,1-3H3;4-5H,1-3H3,(H,8,9);2*4-6H,1-3H3;4-5H,1-3H3,(H,8,9);5*4-5H,1-3H3;4H,1-3H3;2*2-5H,1H3;23*1-2H3
InChIKeyIAWZTFWGAUCKFV-UHFFFAOYSA-N
MW3712.51 g/mol
LogP68.78
Rot. Bonds

About 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;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;3-methylpyridine;4-methylpyridine

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;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;3-methylpyridine;4-methylpyridine (PubChem CID 158645388) has the molecular formula C221H442N30O2S5 and a molecular weight of 3712.51 g/mol. Its IUPAC name is 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;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;3-methylpyridine;4-methylpyridine.

Molecular Properties

Compound Nametert-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;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;3-methylpyridine;4-methylpyridine
PubChem CID158645388
Molecular FormulaC221H442N30O2S5
Molecular Weight3712.51 g/mol
Exact Mass3709.40
IUPAC Nametert-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;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;3-methylpyridine;4-methylpyridine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C1CCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CC(C)(C)N1CCSCC1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnn1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccns1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cncnc1.CC(C)(C)c1cnoc1.CC(C)(C)c1cnsc1.CC(C)(C)c1csnn1.CC(C)(C)c1nccs1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CC(C)(C)n1nccn1.Cc1cccnc1.Cc1ccncc1
InChIInChI=1S/C10H20.C10H14.C9H19N.C9H13N.C9H18.C8H12N2.C8H18N2.C8H12N2.C8H17NO.C8H17NS.C8H17N.4C7H12N2.C7H11NO.3C7H11NS.C6H11N3.C6H10N2S.2C6H7N.23C2H6/c2*1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)10-7-5-4-6-8-10;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)7-4-9-6-10-5-7;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)7-5-4-6-9-10-7;2*1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9;1-7(2,3)6-4-8-9-5-6;1-7(2,3)9-5-4-8-6-9;1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-4-5-8-9-6;2*1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-8-9-6;1-6(2,3)9-7-4-5-8-9;1-6(2,3)5-4-9-8-7-5;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;23*1-2/h9H,4-8H2,1-3H3;4-8H,1-3H3;4-8H2,1-3H3;4-7H,1-3H3;8H,4-7H2,1-3H3;4-6H,1-3H3;9H,4-7H2,1-3H3;4-6H,1-3H3;2*4-7H2,1-3H3;4-7H2,1-3H3;4-5H,1-3H3,(H,8,9);2*4-6H,1-3H3;4-5H,1-3H3,(H,8,9);5*4-5H,1-3H3;4H,1-3H3;2*2-5H,1H3;23*1-2H3
InChIKeyIAWZTFWGAUCKFV-UHFFFAOYSA-N
XLogP68.78
TPSA341.88 Ų
H-Bond Donors3
H-Bond Acceptors35
Rotatable Bonds
Heavy Atoms258
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003712.51
LogP ≤ 568.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1035

Analyze 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;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;3-methylpyridine;4-methylpyridine with MolForge

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Related Compounds

tert-butylbenzene;5-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;3-tert-butyl-4H-pyrazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-3H-pyrrole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole
CID 157121562
1-methylcyclopenta-1,3-diene;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;4-methylmorpholine;5-methyl-1,2,4-oxadiazole;5-methyl-1,2-oxazole;1-methylpiperazine;1-methylpiperidine;2-methylpiperidine;2-methylpyrazine;1-methylpyrazole;4-methyl-4H-pyrazole;3-methylpyridine;4-methylpyrimidine;1-methyltetrazole;3-methyl-1,2,5-thiadiazole;5-methyl-1,2,4-thiadiazole;4-methyl-1,3-thiazole;4-methyl-1,2-thiazolidine;1-methyl-1,2,4-triazole
CID 157170635
2-tert-butyl-4H-imidazole;4-tert-butyl-2H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,5-oxadiazole;4-tert-butyloxadiazole;5-tert-butyloxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;bis(5-tert-butyl-2H-pyrrole);1-tert-butyltetrazole;2-tert-butyltetrazole;bis(5-tert-butyl-2H-tetrazole);2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2,4-thiadiazole;3-tert-butyl-1,2,5-thiadiazole;4-tert-butylthiadiazole;5-tert-butylthiadiazole;5-tert-butyl-1,2,4-thiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;bis(5-tert-butyl-1H-1,2,4-triazole)
CID 157200526
methane;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole
CID 157360731
1-Tert-butyl-2-propan-2-ylbenzene;2-tert-butyl-3-propan-2-ylpyrazine;3-tert-butyl-4-propan-2-ylpyridine;4-tert-butyl-3-propan-2-ylpyridine;3,4-ditert-butyl-1,2-oxazole;3,4-ditert-butylpyridazine;4,5-ditert-butylpyridazine;bis(2,3-ditert-butylpyridine);4,5-ditert-butylpyrimidine;3,4-ditert-butyl-1,2-thiazole;4,5-ditert-butyl-1,2-thiazole;2,3-ditert-butylthiophene;3,4-ditert-butylthiophene
CID 157426196
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
CID 157461128
propan-2-ylcyclohexane;1-propan-2-ylcyclopenta-1,3-diene;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;5-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;4-propan-2-yl-4H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-3H-pyrrole;1-propan-2-yltetrazole;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazolidine;1-propan-2-yl-1,2,4-triazole
CID 157534904
cumene;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-[(4-propan-2-ylphenyl)methyl]morpholine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole
CID 157679119
1-butyl-4-tert-butylpyrazole;4-tert-butyl-1-cyclobutylpyrazole;4-tert-butyl-1-cyclopentylpyrazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(methoxymethyl)pyrazole;4-tert-butyl-1-(3-methoxypropyl)pyrazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrole;5-tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1-(oxan-4-yl)pyrazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;4-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole;2-(4-tert-butylpyrazol-1-yl)-N,N-dimethylethanamine;2-(4-tert-butylpyrazol-1-yl)ethanol;1-(4-tert-butylpyrazol-1-yl)ethanone;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene
CID 157731091
2-methyl-1,3-benzothiazole;1-methylimidazole;2-methylnaphthalene;3-methyl-1,2-oxazole;2-methyl-1-oxidopyridin-1-ium;2-methylpyrazine;4-methyl-1H-pyrazole;4-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole
CID 157757039
2-tert-butyl-4-ethyl-1,3-thiazole;3-tert-butyl-5-(fluoromethyl)-1,2-oxazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1-methylimidazole;bis(3-tert-butyl-5-methyl-1,2,4-oxadiazole);3-tert-butyl-4-methyl-1,2-oxazole;tris(3-tert-butyl-5-methyl-1,2-oxazole);5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-2H-pyrrole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;4-fluoro-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyrimidine;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-4H-imidazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
CID 157905791
tert-butylbenzene;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-3H-pyrrole;5-tert-butyl-3H-pyrrole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole;methane
CID 158028619

Frequently Asked Questions

What is the IUPAC name of 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;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;3-methylpyridine;4-methylpyridine?
The IUPAC name of 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;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;3-methylpyridine;4-methylpyridine (CID 158645388) is 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;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;3-methylpyridine;4-methylpyridine.
What is the SMILES notation for 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;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;3-methylpyridine;4-methylpyridine?
The canonical SMILES for 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;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;3-methylpyridine;4-methylpyridine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C1CCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CC(C)(C)N1CCSCC1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnn1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccns1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cncnc1.CC(C)(C)c1cnoc1.CC(C)(C)c1cnsc1.CC(C)(C)c1csnn1.CC(C)(C)c1nccs1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CC(C)(C)n1nccn1.Cc1cccnc1.Cc1ccncc1.
What is the InChIKey of 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;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;3-methylpyridine;4-methylpyridine?
The InChIKey is IAWZTFWGAUCKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.C10H14.C9H19N.C9H13N.C9H18.C8H12N2.C8H18N2.C8H12N2.C8H17NO.C8H17NS.C8H17N.4C7H12N2.C7H11NO.3C7H11NS.C6H11N3.C6H10N2S.2C6H7N.23C2H6/c2*1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)10-7-5-4-6-8-10;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)7-4-9-6-10-5-7;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)7-5-4-6-9-10-7;2*1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9;1-7(2,3)6-4-8-9-5-6;1-7(2,3)9-5-4-8-6-9;1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-4-5-8-9-6;2*1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-8-9-6;1-6(2,3)9-7-4-5-8-9;1-6(2,3)5-4-9-8-7-5;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;23*1-2/h9H,4-8H2,1-3H3;4-8H,1-3H3;4-8H2,1-3H3;4-7H,1-3H3;8H,4-7H2,1-3H3;4-6H,1-3H3;9H,4-7H2,1-3H3;4-6H,1-3H3;2*4-7H2,1-3H3;4-7H2,1-3H3;4-5H,1-3H3,(H,8,9);2*4-6H,1-3H3;4-5H,1-3H3,(H,8,9);5*4-5H,1-3H3;4H,1-3H3;2*2-5H,1H3;23*1-2H3.
What are the key properties of 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;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;3-methylpyridine;4-methylpyridine?
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;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;3-methylpyridine;4-methylpyridine has a molecular weight of 3712.51 g/mol, XLogP of 68.78, 0 rotatable bonds, 3 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 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;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;3-methylpyridine;4-methylpyridine is sourced from PubChem (CID 158645388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).