tert-butylbenzene;8-tert-butylimidazo[1,2-a]pyrazine;8-tert-butylimidazo[1,2-a]pyridine;bis(2-tert-butyl-1H-imidazole);5-tert-butyl-1H-imidazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;bis(1-tert-butylpyrazole);tris(2-tert-butyl-1H-pyrrole);3-tert-butyl-1H-pyrrole;5-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane;(2-methylpropan-2-yl)oxycyclobutane

C147H261N27O4 — CID 162268858

IUPACtert-butylbenzene;8-tert-butylimidazo[1,2-a]pyrazine;8-tert-butylimidazo[1,2-a]pyridine;bis(2-tert-butyl-1H-imidazole);5-tert-butyl-1H-imidazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;bis(1-tert-butylpyrazole);tris(2-tert-butyl-1H-pyrrole);3-tert-butyl-1H-pyrrole;5-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane;(2-methylpropan-2-yl)oxycyclobutane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)OC1CCC1.CC(C)(C)c1cc[nH]c1.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1cccc2nncn12.CC(C)(C)c1ccccc1.CC(C)(C)c1cccn2ccnc12.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1nccn2ccnc12.CC(C)(C)c1ncco1.CC(C)(C)c1ncon1.CC(C)(C)c1nnco1.CC(C)(C)n1cccn1.CC(C)(C)n1cccn1
InChIInChI=1S/C11H14N2.2C10H13N3.C10H14.4C8H13N.C8H16O.5C7H12N2.C7H11NO.2C6H10N2O.12CH4/c1-11(2,3)9-5-4-7-13-8-6-12-10(9)13;1-10(2,3)8-9-12-5-7-13(9)6-4-11-8;1-10(2,3)8-5-4-6-9-12-11-7-13(8)9;1-10(2,3)9-7-5-4-6-8-9;1-8(2,3)7-4-5-9-6-7;3*1-8(2,3)7-5-4-6-9-7;1-8(2,3)9-7-5-4-6-7;1-7(2,3)6-4-8-5-9-6;2*1-7(2,3)6-8-4-5-9-6;2*1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-8-7-4-9-5;1-6(2,3)5-7-4-9-8-5;;;;;;;;;;;;/h4-8H,1-3H3;2*4-7H,1-3H3;4-8H,1-3H3;4*4-6,9H,1-3H3;7H,4-6H2,1-3H3;3*4-5H,1-3H3,(H,8,9);2*4-6H,1-3H3;4-5H,1-3H3;2*4H,1-3H3;12*1H4
InChIKeyJJVIXLZTTXBYEJ-UHFFFAOYSA-N
MW2470.89 g/mol
LogP42.01
Rot. Bonds1

About tert-butylbenzene;8-tert-butylimidazo[1,2-a]pyrazine;8-tert-butylimidazo[1,2-a]pyridine;bis(2-tert-butyl-1H-imidazole);5-tert-butyl-1H-imidazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;bis(1-tert-butylpyrazole);tris(2-tert-butyl-1H-pyrrole);3-tert-butyl-1H-pyrrole;5-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane;(2-methylpropan-2-yl)oxycyclobutane

tert-butylbenzene;8-tert-butylimidazo[1,2-a]pyrazine;8-tert-butylimidazo[1,2-a]pyridine;bis(2-tert-butyl-1H-imidazole);5-tert-butyl-1H-imidazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;bis(1-tert-butylpyrazole);tris(2-tert-butyl-1H-pyrrole);3-tert-butyl-1H-pyrrole;5-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane;(2-methylpropan-2-yl)oxycyclobutane (PubChem CID 162268858) has the molecular formula C147H261N27O4 and a molecular weight of 2470.89 g/mol. Its IUPAC name is tert-butylbenzene;8-tert-butylimidazo[1,2-a]pyrazine;8-tert-butylimidazo[1,2-a]pyridine;bis(2-tert-butyl-1H-imidazole);5-tert-butyl-1H-imidazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;bis(1-tert-butylpyrazole);tris(2-tert-butyl-1H-pyrrole);3-tert-butyl-1H-pyrrole;5-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane;(2-methylpropan-2-yl)oxycyclobutane.

Molecular Properties

Compound Nametert-butylbenzene;8-tert-butylimidazo[1,2-a]pyrazine;8-tert-butylimidazo[1,2-a]pyridine;bis(2-tert-butyl-1H-imidazole);5-tert-butyl-1H-imidazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;bis(1-tert-butylpyrazole);tris(2-tert-butyl-1H-pyrrole);3-tert-butyl-1H-pyrrole;5-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane;(2-methylpropan-2-yl)oxycyclobutane
PubChem CID162268858
Molecular FormulaC147H261N27O4
Molecular Weight2470.89 g/mol
Exact Mass2469.10
IUPAC Nametert-butylbenzene;8-tert-butylimidazo[1,2-a]pyrazine;8-tert-butylimidazo[1,2-a]pyridine;bis(2-tert-butyl-1H-imidazole);5-tert-butyl-1H-imidazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;bis(1-tert-butylpyrazole);tris(2-tert-butyl-1H-pyrrole);3-tert-butyl-1H-pyrrole;5-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane;(2-methylpropan-2-yl)oxycyclobutane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)OC1CCC1.CC(C)(C)c1cc[nH]c1.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1cccc2nncn12.CC(C)(C)c1ccccc1.CC(C)(C)c1cccn2ccnc12.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1nccn2ccnc12.CC(C)(C)c1ncco1.CC(C)(C)c1ncon1.CC(C)(C)c1nnco1.CC(C)(C)n1cccn1.CC(C)(C)n1cccn1
InChIInChI=1S/C11H14N2.2C10H13N3.C10H14.4C8H13N.C8H16O.5C7H12N2.C7H11NO.2C6H10N2O.12CH4/c1-11(2,3)9-5-4-7-13-8-6-12-10(9)13;1-10(2,3)8-9-12-5-7-13(9)6-4-11-8;1-10(2,3)8-5-4-6-9-12-11-7-13(8)9;1-10(2,3)9-7-5-4-6-8-9;1-8(2,3)7-4-5-9-6-7;3*1-8(2,3)7-5-4-6-9-7;1-8(2,3)9-7-5-4-6-7;1-7(2,3)6-4-8-5-9-6;2*1-7(2,3)6-8-4-5-9-6;2*1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-8-7-4-9-5;1-6(2,3)5-7-4-9-8-5;;;;;;;;;;;;/h4-8H,1-3H3;2*4-7H,1-3H3;4-8H,1-3H3;4*4-6,9H,1-3H3;7H,4-6H2,1-3H3;3*4-5H,1-3H3,(H,8,9);2*4-6H,1-3H3;4-5H,1-3H3;2*4H,1-3H3;12*1H4
InChIKeyJJVIXLZTTXBYEJ-UHFFFAOYSA-N
XLogP42.01
TPSA375.62 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds1
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002470.89
LogP ≤ 542.01
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

Analyze tert-butylbenzene;8-tert-butylimidazo[1,2-a]pyrazine;8-tert-butylimidazo[1,2-a]pyridine;bis(2-tert-butyl-1H-imidazole);5-tert-butyl-1H-imidazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;bis(1-tert-butylpyrazole);tris(2-tert-butyl-1H-pyrrole);3-tert-butyl-1H-pyrrole;5-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane;(2-methylpropan-2-yl)oxycyclobutane with MolForge

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Related Compounds

2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;bis(2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine);2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;1-(2,2-dimethylpropyl)-4-methylpyrazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;1-ethyl-3-(2-methylpropyl)pyrazole;methane;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)pyrazole;4-methyl-1-(2-methylpropyl)pyrazole
CID 158051701
3-[(tert-butylamino)methyl]cyclohexa-2,4-dien-1-one;5-tert-butyl-1,3-oxazol-2-amine;2-(3,3-dimethylbutyl)-1H-benzimidazole;2-(3,3-dimethylbutyl)-4,5-dihydro-1H-imidazole;5-(3,3-dimethylbutyl)-3,4-dihydro-2H-pyrrole;2-(3,3-dimethylbutyl)-4,5-dimethyl-1H-imidazole;2-(3,3-dimethylbutyl)pyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,3-oxazol-2-one;3-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)-1,3-oxazol-2-one;N-(1H-imidazol-2-ylmethyl)-2-methylpropan-2-amine;2-methyl-N-[(3-methyl-1H-pyrrol-2-yl)methyl]propan-2-amine;2-methyl-N-(3H-pyrazol-5-ylmethyl)propan-2-amine;2-methyl-N-(pyridazin-3-ylmethyl)propan-2-amine;2-methyl-N-(2H-pyrrol-4-ylmethyl)propan-2-amine
CID 158168572
3-[(tert-butylamino)methyl]cyclohexa-2,4-dien-1-one;5-tert-butyl-2-methyl-1,3-oxazole;2-(3,3-dimethylbutyl)-1H-benzimidazole;5-(3,3-dimethylbutyl)-3,4-dihydro-2H-pyrrole;2-(3,3-dimethylbutyl)-4,5-dimethyl-1H-imidazole;2-(3,3-dimethylbutyl)pyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,3-oxazol-2-one;3-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)-1,3-oxazol-2-one;N-(1H-imidazol-2-ylmethyl)-2-methylpropan-2-amine;methane;2-methyl-N-[(3-methyl-1H-pyrrol-2-yl)methyl]propan-2-amine;2-methyl-N-(3H-pyrazol-5-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-2-ylmethyl)propan-2-amine;2-methyl-N-(2H-pyrrol-4-ylmethyl)propan-2-amine
CID 159169193
3-[(tert-butylamino)methyl]cyclohexa-2,4-dien-1-one;5-tert-butyl-1,3-oxazol-2-amine;2-(3,3-dimethylbutyl)-1H-benzimidazole;5-(3,3-dimethylbutyl)-3,4-dihydro-2H-pyrrole;2-(3,3-dimethylbutyl)-4,5-dimethyl-1H-imidazole;2-(3,3-dimethylbutyl)pyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,3-oxazol-2-one;3-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)-1,3-oxazol-2-one;N-(1H-imidazol-2-ylmethyl)-2-methylpropan-2-amine;2-methyl-N-[(3-methyl-1H-pyrrol-2-yl)methyl]propan-2-amine;2-methyl-N-(3H-pyrazol-5-ylmethyl)propan-2-amine;2-methyl-N-(pyridazin-3-ylmethyl)propan-2-amine;2-methyl-N-(2H-pyrrol-4-ylmethyl)propan-2-amine
CID 160393382
2-tert-butyl-5-fluoropyrimidine;4-tert-butyl-2-methyltriazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1,3,5-triazine;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;1H-imidazole;pentakis(2-methylpropane);1-methylpyrazole;1H-pyrrole;2H-tetrazole;1H-1,2,4-triazole;2H-triazole
CID 160435118
cumene;2,4-dimethyl-6-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole
CID 161275269
2-tert-butyl-5-fluoropyrimidine;4-tert-butyl-2-methyltriazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1,3,5-triazine;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;1H-imidazole;pentakis(2-methylpropane);1H-pyrrole;2H-tetrazole;1H-1,2,4-triazole;2H-triazole
CID 161276411
2-[2-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]imidazo[1,2-a]pyridine;2-[2-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]-1,3-oxazole;N,N-dimethyl-3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazol-1-yl]propan-1-amine;2-[(2S,6R)-6-(1H-imidazol-2-yl)-1-[(2-pyrazol-1-ylphenyl)methyl]piperidin-2-yl]-3-methylpyridine;2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole
CID 161842622
3,6-bis(2,2-dimethylpropyl)pyridazine;bis(2,5-bis(2,2-dimethylpropyl)pyrimidine);2-tert-butyl-5-(3,3-dimethylbutyl)-1H-imidazole;4-tert-butyl-1-(3,3-dimethylbutyl)imidazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1H-imidazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1,3-oxazole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;4-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;2-tert-butyl-4-(3,3-dimethylbutyl)-1H-pyrrole;2-tert-butyl-5-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrrole;4-tert-butyl-2-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-5-(3,3-dimethylbutyl)-1H-1,2,4-triazole
CID 162036496
tert-butylbenzene;8-tert-butylimidazo[1,2-a]pyrazine;8-tert-butylimidazo[1,2-a]pyridine;bis(2-tert-butyl-1H-imidazole);5-tert-butyl-1H-imidazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;bis(1-tert-butylpyrazole);tris(2-tert-butyl-1H-pyrrole);3-tert-butyl-1H-pyrrole;5-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;(2-methylpropan-2-yl)oxycyclobutane
CID 162279238
tert-butylbenzene;8-tert-butylimidazo[1,2-a]pyrazine;8-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-imidazole);2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;4-tert-butyl-1,3-thiazole;1-tert-butyltriazole;5-tert-butyl-1H-1,2,4-triazole;5-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;(2-methylpropan-2-yl)oxycyclobutane
CID 162279239
cumene;ethane;propan-2-ylcyclopropane;1-propan-2-ylimidazole;bis(5-propan-2-yl-1H-imidazole);4-propan-2-ylmorpholine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-yl-1H-pyridin-2-one;4-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole
CID 167667806

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;8-tert-butylimidazo[1,2-a]pyrazine;8-tert-butylimidazo[1,2-a]pyridine;bis(2-tert-butyl-1H-imidazole);5-tert-butyl-1H-imidazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;bis(1-tert-butylpyrazole);tris(2-tert-butyl-1H-pyrrole);3-tert-butyl-1H-pyrrole;5-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane;(2-methylpropan-2-yl)oxycyclobutane?
The IUPAC name of tert-butylbenzene;8-tert-butylimidazo[1,2-a]pyrazine;8-tert-butylimidazo[1,2-a]pyridine;bis(2-tert-butyl-1H-imidazole);5-tert-butyl-1H-imidazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;bis(1-tert-butylpyrazole);tris(2-tert-butyl-1H-pyrrole);3-tert-butyl-1H-pyrrole;5-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane;(2-methylpropan-2-yl)oxycyclobutane (CID 162268858) is tert-butylbenzene;8-tert-butylimidazo[1,2-a]pyrazine;8-tert-butylimidazo[1,2-a]pyridine;bis(2-tert-butyl-1H-imidazole);5-tert-butyl-1H-imidazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;bis(1-tert-butylpyrazole);tris(2-tert-butyl-1H-pyrrole);3-tert-butyl-1H-pyrrole;5-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane;(2-methylpropan-2-yl)oxycyclobutane.
What is the SMILES notation for tert-butylbenzene;8-tert-butylimidazo[1,2-a]pyrazine;8-tert-butylimidazo[1,2-a]pyridine;bis(2-tert-butyl-1H-imidazole);5-tert-butyl-1H-imidazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;bis(1-tert-butylpyrazole);tris(2-tert-butyl-1H-pyrrole);3-tert-butyl-1H-pyrrole;5-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane;(2-methylpropan-2-yl)oxycyclobutane?
The canonical SMILES for tert-butylbenzene;8-tert-butylimidazo[1,2-a]pyrazine;8-tert-butylimidazo[1,2-a]pyridine;bis(2-tert-butyl-1H-imidazole);5-tert-butyl-1H-imidazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;bis(1-tert-butylpyrazole);tris(2-tert-butyl-1H-pyrrole);3-tert-butyl-1H-pyrrole;5-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane;(2-methylpropan-2-yl)oxycyclobutane is C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)OC1CCC1.CC(C)(C)c1cc[nH]c1.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1cccc2nncn12.CC(C)(C)c1ccccc1.CC(C)(C)c1cccn2ccnc12.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1nccn2ccnc12.CC(C)(C)c1ncco1.CC(C)(C)c1ncon1.CC(C)(C)c1nnco1.CC(C)(C)n1cccn1.CC(C)(C)n1cccn1.
What is the InChIKey of tert-butylbenzene;8-tert-butylimidazo[1,2-a]pyrazine;8-tert-butylimidazo[1,2-a]pyridine;bis(2-tert-butyl-1H-imidazole);5-tert-butyl-1H-imidazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;bis(1-tert-butylpyrazole);tris(2-tert-butyl-1H-pyrrole);3-tert-butyl-1H-pyrrole;5-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane;(2-methylpropan-2-yl)oxycyclobutane?
The InChIKey is JJVIXLZTTXBYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2.2C10H13N3.C10H14.4C8H13N.C8H16O.5C7H12N2.C7H11NO.2C6H10N2O.12CH4/c1-11(2,3)9-5-4-7-13-8-6-12-10(9)13;1-10(2,3)8-9-12-5-7-13(9)6-4-11-8;1-10(2,3)8-5-4-6-9-12-11-7-13(8)9;1-10(2,3)9-7-5-4-6-8-9;1-8(2,3)7-4-5-9-6-7;3*1-8(2,3)7-5-4-6-9-7;1-8(2,3)9-7-5-4-6-7;1-7(2,3)6-4-8-5-9-6;2*1-7(2,3)6-8-4-5-9-6;2*1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-8-7-4-9-5;1-6(2,3)5-7-4-9-8-5;;;;;;;;;;;;/h4-8H,1-3H3;2*4-7H,1-3H3;4-8H,1-3H3;4*4-6,9H,1-3H3;7H,4-6H2,1-3H3;3*4-5H,1-3H3,(H,8,9);2*4-6H,1-3H3;4-5H,1-3H3;2*4H,1-3H3;12*1H4.
What are the key properties of tert-butylbenzene;8-tert-butylimidazo[1,2-a]pyrazine;8-tert-butylimidazo[1,2-a]pyridine;bis(2-tert-butyl-1H-imidazole);5-tert-butyl-1H-imidazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;bis(1-tert-butylpyrazole);tris(2-tert-butyl-1H-pyrrole);3-tert-butyl-1H-pyrrole;5-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane;(2-methylpropan-2-yl)oxycyclobutane?
tert-butylbenzene;8-tert-butylimidazo[1,2-a]pyrazine;8-tert-butylimidazo[1,2-a]pyridine;bis(2-tert-butyl-1H-imidazole);5-tert-butyl-1H-imidazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;bis(1-tert-butylpyrazole);tris(2-tert-butyl-1H-pyrrole);3-tert-butyl-1H-pyrrole;5-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane;(2-methylpropan-2-yl)oxycyclobutane has a molecular weight of 2470.89 g/mol, XLogP of 42.01, 1 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;8-tert-butylimidazo[1,2-a]pyrazine;8-tert-butylimidazo[1,2-a]pyridine;bis(2-tert-butyl-1H-imidazole);5-tert-butyl-1H-imidazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;bis(1-tert-butylpyrazole);tris(2-tert-butyl-1H-pyrrole);3-tert-butyl-1H-pyrrole;5-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane;(2-methylpropan-2-yl)oxycyclobutane is sourced from PubChem (CID 162268858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).