tert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butylmorpholine;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;bis(4-tert-butyl-3H-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

C129H208N14O3S5 — CID 159024855

IUPACtert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butylmorpholine;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;bis(4-tert-butyl-3H-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
SMILESCC(C)(C)C1=CN=CC1.CC(C)(C)C1=CN=CC1.CC(C)(C)C1CC1.CC(C)(C)C1CCCCC1.CC(C)(C)N1CCOCC1.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccs1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1cnco1.CC(C)(C)c1cncs1.CC(C)(C)c1cnoc1.CC(C)(C)c1cscn1.CC(C)(C)c1nccs1.CC(C)(C)c1nncs1
InChIInChI=1S/C13H15N.C10H20.C10H14.C9H13N.C8H17NO.2C8H13N.C8H12S.C7H12N2.2C7H11NO.3C7H11NS.C7H14.C6H10N2S/c1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;2*1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)9-4-6-10-7-5-9;2*1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-6;1-6(2,3)5-8-7-4-9-5/h4-9H,1-3H3;9H,4-8H2,1-3H3;4-8H,1-3H3;4-7H,1-3H3;4-7H2,1-3H3;2*5-6H,4H2,1-3H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);5*4-5H,1-3H3;6H,4-5H2,1-3H3;4H,1-3H3
InChIKeyJUDPRQMNOQTQKY-UHFFFAOYSA-N
MW2163.51 g/mol
LogP38.70
Rot. Bonds

About tert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butylmorpholine;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;bis(4-tert-butyl-3H-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

tert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butylmorpholine;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;bis(4-tert-butyl-3H-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 (PubChem CID 159024855) has the molecular formula C129H208N14O3S5 and a molecular weight of 2163.51 g/mol. Its IUPAC name is tert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butylmorpholine;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;bis(4-tert-butyl-3H-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.

Molecular Properties

Compound Nametert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butylmorpholine;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;bis(4-tert-butyl-3H-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
PubChem CID159024855
Molecular FormulaC129H208N14O3S5
Molecular Weight2163.51 g/mol
Exact Mass2161.52
IUPAC Nametert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butylmorpholine;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;bis(4-tert-butyl-3H-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
SMILESCC(C)(C)C1=CN=CC1.CC(C)(C)C1=CN=CC1.CC(C)(C)C1CC1.CC(C)(C)C1CCCCC1.CC(C)(C)N1CCOCC1.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccs1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1cnco1.CC(C)(C)c1cncs1.CC(C)(C)c1cnoc1.CC(C)(C)c1cscn1.CC(C)(C)c1nccs1.CC(C)(C)c1nncs1
InChIInChI=1S/C13H15N.C10H20.C10H14.C9H13N.C8H17NO.2C8H13N.C8H12S.C7H12N2.2C7H11NO.3C7H11NS.C7H14.C6H10N2S/c1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;2*1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)9-4-6-10-7-5-9;2*1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-6;1-6(2,3)5-8-7-4-9-5/h4-9H,1-3H3;9H,4-8H2,1-3H3;4-8H,1-3H3;4-7H,1-3H3;4-7H2,1-3H3;2*5-6H,4H2,1-3H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);5*4-5H,1-3H3;6H,4-5H2,1-3H3;4H,1-3H3
InChIKeyJUDPRQMNOQTQKY-UHFFFAOYSA-N
XLogP38.70
TPSA208.16 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002163.51
LogP ≤ 538.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Analyze tert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butylmorpholine;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;bis(4-tert-butyl-3H-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 with MolForge

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Related Compounds

3-cyclopropyl-6-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine;5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-one;5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-ethyl-3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;5-ethyl-2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;5-ethyl-2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;bis(5-ethyl-3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine);6-ethyl-1-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;5-ethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;2-ethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;2-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 159463164
3-cyclopropyl-6-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine;5-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-one;5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-ethyl-3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;5-ethyl-2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;5-ethyl-2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;bis(5-ethyl-3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine);6-ethyl-1-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2-ethyl-1,3,4,5-tetrahydroindeno[1,2-c]pyridine;5-ethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;2-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 160669341
4-tert-butyl-1-(2-chlorophenyl)piperidine;1-(3-tert-butylcyclohexyl)piperidine;3-tert-butyl-1-cyclohexylpiperidine;3-tert-butyl-1-(1-methylpiperidin-4-yl)piperidine;4-tert-butyl-1-(1-methylpiperidin-4-yl)piperidine;bis(4-tert-butyl-1-methylpyrazole);2-tert-butyl-4-methylthiophene;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-1-phenylpiperidine;4-tert-butyl-1-phenylpiperidine;4-tert-butyl-1H-pyrazole;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole
CID 157488957
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
tert-butylbenzene;tert-butylcyclohexane;2-tert-butylcyclopenta-1,3-diene;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;3-tert-butylpyridine;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;methane
CID 160209793
tert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butylmorpholine;5-tert-butyl-1,3-oxazole;3-tert-butylpyridine;4-tert-butyl-3H-pyrrole;3-tert-butylquinoline;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene
CID 162017549
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;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 162027491
4-tert-butyl-1-(2-chlorophenyl)piperidine;1-(3-tert-butylcyclohexyl)piperidine;3-tert-butyl-1-cyclohexylpiperidine;4-tert-butyl-1-methylpiperidine;3-tert-butyl-1-(1-methylpiperidin-4-yl)piperidine;bis(4-tert-butyl-1-methylpyrazole);2-tert-butyl-4-methylthiophene;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-1-phenylpiperidine;4-tert-butyl-1H-pyrazole;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;2-tert-butyl-1,3,4-thiadiazole;5-tert-butylthiadiazole;2-tert-butyl-1,3-thiazole;1-(3,3-dimethylbutyl)piperidine
CID 167590327

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butylmorpholine;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;bis(4-tert-butyl-3H-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?
The IUPAC name of tert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butylmorpholine;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;bis(4-tert-butyl-3H-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 159024855) is tert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butylmorpholine;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;bis(4-tert-butyl-3H-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.
What is the SMILES notation for tert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butylmorpholine;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;bis(4-tert-butyl-3H-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?
The canonical SMILES for tert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butylmorpholine;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;bis(4-tert-butyl-3H-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 is CC(C)(C)C1=CN=CC1.CC(C)(C)C1=CN=CC1.CC(C)(C)C1CC1.CC(C)(C)C1CCCCC1.CC(C)(C)N1CCOCC1.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccs1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1cnco1.CC(C)(C)c1cncs1.CC(C)(C)c1cnoc1.CC(C)(C)c1cscn1.CC(C)(C)c1nccs1.CC(C)(C)c1nncs1.
What is the InChIKey of tert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butylmorpholine;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;bis(4-tert-butyl-3H-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?
The InChIKey is JUDPRQMNOQTQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N.C10H20.C10H14.C9H13N.C8H17NO.2C8H13N.C8H12S.C7H12N2.2C7H11NO.3C7H11NS.C7H14.C6H10N2S/c1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;2*1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)9-4-6-10-7-5-9;2*1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-6;1-6(2,3)5-8-7-4-9-5/h4-9H,1-3H3;9H,4-8H2,1-3H3;4-8H,1-3H3;4-7H,1-3H3;4-7H2,1-3H3;2*5-6H,4H2,1-3H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);5*4-5H,1-3H3;6H,4-5H2,1-3H3;4H,1-3H3.
What are the key properties of tert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butylmorpholine;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;bis(4-tert-butyl-3H-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?
tert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butylmorpholine;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;bis(4-tert-butyl-3H-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 has a molecular weight of 2163.51 g/mol, XLogP of 38.70, 0 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butylmorpholine;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;bis(4-tert-butyl-3H-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 is sourced from PubChem (CID 159024855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).