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

C248H491N33O2S5 — CID 157461128

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;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
SMILESC.CC.CC.CC.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)N1CCCC2=C1CN=C2.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.Cc1cccc2c1CN=C2.Cc1cccnc1.Cc1ccncc1
InChIInChI=1S/C11H18N2.C10H20.C10H14.C9H9N.C9H19N.C9H13N.C9H18.C8H12N2.C8H18N2.C8H12N2.C8H17NO.C8H17NS.C8H17N.4C7H12N2.C7H11NO.3C7H11NS.C6H11N3.C6H10N2S.2C6H7N.26C2H6.CH4/c1-11(2,3)13-6-4-5-9-7-12-8-10(9)13;2*1-10(2,3)9-7-5-4-6-8-9;1-7-3-2-4-8-5-10-6-9(7)8;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;26*1-2;/h7H,4-6,8H2,1-3H3;9H,4-8H2,1-3H3;4-8H,1-3H3;2-5H,6H2,1H3;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;26*1-2H3;1H4
InChIKeyBTXXBDZHJPEMLL-UHFFFAOYSA-N
MW4128.22 g/mol
LogP76.64
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;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

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 (PubChem CID 157461128) has the molecular formula C248H491N33O2S5 and a molecular weight of 4128.22 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;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.

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;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
PubChem CID157461128
Molecular FormulaC248H491N33O2S5
Molecular Weight4128.22 g/mol
Exact Mass4124.79
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;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
SMILESC.CC.CC.CC.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)N1CCCC2=C1CN=C2.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.Cc1cccc2c1CN=C2.Cc1cccnc1.Cc1ccncc1
InChIInChI=1S/C11H18N2.C10H20.C10H14.C9H9N.C9H19N.C9H13N.C9H18.C8H12N2.C8H18N2.C8H12N2.C8H17NO.C8H17NS.C8H17N.4C7H12N2.C7H11NO.3C7H11NS.C6H11N3.C6H10N2S.2C6H7N.26C2H6.CH4/c1-11(2,3)13-6-4-5-9-7-12-8-10(9)13;2*1-10(2,3)9-7-5-4-6-8-9;1-7-3-2-4-8-5-10-6-9(7)8;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;26*1-2;/h7H,4-6,8H2,1-3H3;9H,4-8H2,1-3H3;4-8H,1-3H3;2-5H,6H2,1H3;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;26*1-2H3;1H4
InChIKeyBTXXBDZHJPEMLL-UHFFFAOYSA-N
XLogP76.64
TPSA369.84 Ų
H-Bond Donors3
H-Bond Acceptors38
Rotatable Bonds
Heavy Atoms288
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004128.22
LogP ≤ 576.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1038

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;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 with MolForge

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Related Compounds

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
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
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
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
CID 157766823
tert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopropane;5-tert-butyl-1H-imidazole;4-tert-butylmorpholine;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;2-tert-butylpyridine;3-tert-butylpyridine;3-tert-butyl-1H-pyrrole;3-tert-butylquinoline;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene
CID 158082125
cumene;ethane;1H-imidazole;icosakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1H-pyrazole;pyridine;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;bis(1H-1,2,4-triazole);bis(2H-triazole)
CID 158095666
tert-butylcyclohexane;tert-butylcyclopentane;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;4-tert-butylthiomorpholine;2-tert-butyltriazole;ethane;methane;7-methyl-1H-isoindole;3-methylpyridine;4-methylpyridine
CID 158256899
tert-butylcyclohexane;tert-butylcyclopentane;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;7-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;4-tert-butylthiadiazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,2-thiazole;4-tert-butylthiomorpholine;2-tert-butyltriazole;ethane;methane;7-methyl-1H-isoindole;3-methylpyridine;4-methylpyridine
CID 158515879
1-propan-2-ylcyclopenta-1,3-diene;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;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-ylpiperidine;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;4-propan-2-yl-4H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyrimidine;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 158526642
cumene;2,3-dimethylbutan-2-ol;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;ethane;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-2-propan-2-yloxypropane;2-methyl-5-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;5-propan-2-yl-1,2-oxazole;propan-2-yloxycyclopentane;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 158591109
3-tert-butyl-2H-indazole;2-tert-butyl-1,3,4-thiadiazole;octakis(2,2-dimethylpropane);1H-imidazole;1H-isoindole;1,2-oxazole;pyrimidine;3H-pyrrole;bis(7H-pyrrolo[3,4-d]pyrimidine);1,2-thiazole
CID 158595258
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

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;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?
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;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) 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;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.
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;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?
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;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 is C.CC.CC.CC.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)N1CCCC2=C1CN=C2.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.Cc1cccc2c1CN=C2.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;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?
The InChIKey is BTXXBDZHJPEMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2.C10H20.C10H14.C9H9N.C9H19N.C9H13N.C9H18.C8H12N2.C8H18N2.C8H12N2.C8H17NO.C8H17NS.C8H17N.4C7H12N2.C7H11NO.3C7H11NS.C6H11N3.C6H10N2S.2C6H7N.26C2H6.CH4/c1-11(2,3)13-6-4-5-9-7-12-8-10(9)13;2*1-10(2,3)9-7-5-4-6-8-9;1-7-3-2-4-8-5-10-6-9(7)8;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;26*1-2;/h7H,4-6,8H2,1-3H3;9H,4-8H2,1-3H3;4-8H,1-3H3;2-5H,6H2,1H3;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;26*1-2H3;1H4.
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;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?
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 has a molecular weight of 4128.22 g/mol, XLogP of 76.64, 0 rotatable bonds, 3 hydrogen bond donors, and 38 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;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 is sourced from PubChem (CID 157461128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).