bis(tert-butylbenzene);5-tert-butyl-2-but-1-ynylpyridine;2-tert-butylfuran;1-tert-butylimidazole;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylphenol;tris(5-tert-butyl-2-methylpyridine);bis(3-tert-butyl-1-methylpyrrole);1-tert-butyl-4-prop-1-en-2-ylbenzene;3-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;1-(3-tert-butylthiophen-2-yl)ethanone;1-tert-butyltriazole

C179H267N15O3S3 — CID 158759698

IUPACbis(tert-butylbenzene);5-tert-butyl-2-but-1-ynylpyridine;2-tert-butylfuran;1-tert-butylimidazole;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylphenol;tris(5-tert-butyl-2-methylpyridine);bis(3-tert-butyl-1-methylpyrrole);1-tert-butyl-4-prop-1-en-2-ylbenzene;3-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;1-(3-tert-butylthiophen-2-yl)ethanone;1-tert-butyltriazole
SMILESC=C(C)c1ccc(C(C)(C)C)cc1.CC(=O)c1sccc1C(C)(C)C.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1cncnc1.CC(C)(C)c1cscn1.CC(C)(C)n1ccnc1.CC(C)(C)n1ccnn1.CCC#Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1O.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cn1ccc(C(C)(C)C)c1.Cn1ccc(C(C)(C)C)c1
InChIInChI=1S/C13H17N.C13H18.C11H16O.C11H16.3C10H15N.C10H14OS.2C10H14.2C9H15N.C9H13N.C8H12N2.C8H12O.C8H12S.C7H12N2.C7H11NS.C6H11N3/c1-5-6-7-12-9-8-11(10-14-12)13(2,3)4;1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-8-5-6-9(7-10(8)12)11(2,3)4;1-9-5-7-10(8-6-9)11(2,3)4;3*1-8-5-6-9(7-11-8)10(2,3)4;1-7(11)9-8(5-6-12-9)10(2,3)4;2*1-10(2,3)9-7-5-4-6-8-9;2*1-9(2,3)8-5-6-10(4)7-8;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)7-4-9-6-10-5-7;2*1-8(2,3)7-5-4-6-9-7;1-7(2,3)9-5-4-8-6-9;1-7(2,3)6-4-9-5-8-6;1-6(2,3)9-5-4-7-8-9/h8-10H,5H2,1-4H3;6-9H,1H2,2-5H3;5-7,12H,1-4H3;5-8H,1-4H3;3*5-7H,1-4H3;5-6H,1-4H3;2*4-8H,1-3H3;2*5-7H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;3*4-6H,1-3H3;2*4-5H,1-3H3
InChIKeyIOMVNPMTAFLPST-UHFFFAOYSA-N
MW2773.41 g/mol
LogP50.26
Rot. Bonds2

About bis(tert-butylbenzene);5-tert-butyl-2-but-1-ynylpyridine;2-tert-butylfuran;1-tert-butylimidazole;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylphenol;tris(5-tert-butyl-2-methylpyridine);bis(3-tert-butyl-1-methylpyrrole);1-tert-butyl-4-prop-1-en-2-ylbenzene;3-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;1-(3-tert-butylthiophen-2-yl)ethanone;1-tert-butyltriazole

bis(tert-butylbenzene);5-tert-butyl-2-but-1-ynylpyridine;2-tert-butylfuran;1-tert-butylimidazole;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylphenol;tris(5-tert-butyl-2-methylpyridine);bis(3-tert-butyl-1-methylpyrrole);1-tert-butyl-4-prop-1-en-2-ylbenzene;3-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;1-(3-tert-butylthiophen-2-yl)ethanone;1-tert-butyltriazole (PubChem CID 158759698) has the molecular formula C179H267N15O3S3 and a molecular weight of 2773.41 g/mol. Its IUPAC name is bis(tert-butylbenzene);5-tert-butyl-2-but-1-ynylpyridine;2-tert-butylfuran;1-tert-butylimidazole;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylphenol;tris(5-tert-butyl-2-methylpyridine);bis(3-tert-butyl-1-methylpyrrole);1-tert-butyl-4-prop-1-en-2-ylbenzene;3-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;1-(3-tert-butylthiophen-2-yl)ethanone;1-tert-butyltriazole.

Molecular Properties

Compound Namebis(tert-butylbenzene);5-tert-butyl-2-but-1-ynylpyridine;2-tert-butylfuran;1-tert-butylimidazole;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylphenol;tris(5-tert-butyl-2-methylpyridine);bis(3-tert-butyl-1-methylpyrrole);1-tert-butyl-4-prop-1-en-2-ylbenzene;3-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;1-(3-tert-butylthiophen-2-yl)ethanone;1-tert-butyltriazole
PubChem CID158759698
Molecular FormulaC179H267N15O3S3
Molecular Weight2773.41 g/mol
Exact Mass2771.04
IUPAC Namebis(tert-butylbenzene);5-tert-butyl-2-but-1-ynylpyridine;2-tert-butylfuran;1-tert-butylimidazole;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylphenol;tris(5-tert-butyl-2-methylpyridine);bis(3-tert-butyl-1-methylpyrrole);1-tert-butyl-4-prop-1-en-2-ylbenzene;3-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;1-(3-tert-butylthiophen-2-yl)ethanone;1-tert-butyltriazole
SMILESC=C(C)c1ccc(C(C)(C)C)cc1.CC(=O)c1sccc1C(C)(C)C.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1cncnc1.CC(C)(C)c1cscn1.CC(C)(C)n1ccnc1.CC(C)(C)n1ccnn1.CCC#Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1O.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cn1ccc(C(C)(C)C)c1.Cn1ccc(C(C)(C)C)c1
InChIInChI=1S/C13H17N.C13H18.C11H16O.C11H16.3C10H15N.C10H14OS.2C10H14.2C9H15N.C9H13N.C8H12N2.C8H12O.C8H12S.C7H12N2.C7H11NS.C6H11N3/c1-5-6-7-12-9-8-11(10-14-12)13(2,3)4;1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-8-5-6-9(7-10(8)12)11(2,3)4;1-9-5-7-10(8-6-9)11(2,3)4;3*1-8-5-6-9(7-11-8)10(2,3)4;1-7(11)9-8(5-6-12-9)10(2,3)4;2*1-10(2,3)9-7-5-4-6-8-9;2*1-9(2,3)8-5-6-10(4)7-8;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)7-4-9-6-10-5-7;2*1-8(2,3)7-5-4-6-9-7;1-7(2,3)9-5-4-8-6-9;1-7(2,3)6-4-9-5-8-6;1-6(2,3)9-5-4-7-8-9/h8-10H,5H2,1-4H3;6-9H,1H2,2-5H3;5-7,12H,1-4H3;5-8H,1-4H3;3*5-7H,1-4H3;5-6H,1-4H3;2*4-8H,1-3H3;2*5-7H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;3*4-6H,1-3H3;2*4-5H,1-3H3
InChIKeyIOMVNPMTAFLPST-UHFFFAOYSA-N
XLogP50.26
TPSA211.95 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds2
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002773.41
LogP ≤ 550.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze bis(tert-butylbenzene);5-tert-butyl-2-but-1-ynylpyridine;2-tert-butylfuran;1-tert-butylimidazole;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylphenol;tris(5-tert-butyl-2-methylpyridine);bis(3-tert-butyl-1-methylpyrrole);1-tert-butyl-4-prop-1-en-2-ylbenzene;3-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;1-(3-tert-butylthiophen-2-yl)ethanone;1-tert-butyltriazole with MolForge

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Launch Full Analysis

Related Compounds

1,3-Ditert-butylbenzene;2,5-ditert-butyl-1-benzofuran;2,6-ditert-butyl-1-benzofuran;1,4-ditert-butyl-2,5-dimethylbenzene;3,6-ditert-butyl-2,4-dimethylpyridine;2,5-ditert-butyl-1-methylimidazole;2,4-ditert-butyl-1-methylindole;2,6-ditert-butyl-1-methylindole;3,5-ditert-butyl-1-methylpyrazole;3,6-ditert-butyl-4-methylpyridazine;2,5-ditert-butyl-1-methylpyrrole;2,5-ditert-butylpyrazine;2,4-ditert-butylpyridine;2,6-ditert-butylpyridine;3,5-ditert-butylpyridine;2,5-ditert-butyl-1,3-thiazole;2,5-ditert-butylthiophene;2,5-ditert-butyl-1,3,7-trimethylindole
CID 157077113
2-phenyl-5-propan-2-ylpyrazine;2-phenyl-3-propan-2-ylpyridine;5-phenyl-2-propan-2-ylpyridine;3-phenyl-2-propan-2-yl-1H-pyrrole;2-phenyl-5-propan-2-yl-1,3-thiazole;2-phenyl-4-propan-2-ylthiophene;2-(4-propan-2-ylphenyl)furan;2-(4-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine;3-(4-propan-2-ylphenyl)-1H-pyrrole;2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 157099887
Ethane;2-methyl-5-(4-methylphenyl)furan;1-methyl-3-(4-methylphenyl)pyrazole;2-methyl-5-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyridine;2-methyl-5-(4-methylphenyl)pyrimidine;5-methyl-2-(4-methylphenyl)pyrimidine;4-methyl-2-(4-methylphenyl)-1,3-thiazole;5-methyl-2-(4-methylphenyl)-1,3-thiazole;2,3,5-trimethyl-6-(4-methylphenyl)thieno[3,2-b]thiophene;2,3,6-trimethyl-5-(4-methylphenyl)thieno[3,2-b]thiophene
CID 157108959
1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;2,3-ditert-butylfuran;3,4-ditert-butylfuran;1,4-ditert-butylpyrazole;1,5-ditert-butylpyrazole;3,5-ditert-butylpyridazine;2,4-ditert-butylpyridine;2,5-ditert-butylpyridine;2,5-ditert-butylpyrimidine;2,4-ditert-butyl-3H-pyrrole;3,5-ditert-butyl-2H-pyrrole;2,5-ditert-butyl-1,3-thiazole;2,4-ditert-butylthiophene;2,5-ditert-butylthiophene
CID 157182796
cumene;2-hydrazinylidene-4-methylpentan-1-imine;docosakis(2-methylpropane);2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)pyrazole;bis(5-(2-methylpropyl)-1H-pyrazole);2-(2-methylpropyl)-1,3-thiazole;4-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;4-(2-methylpropyl)-1,2,4-triazole;2-propan-2-ylpyrazine;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
CID 157284470
tert-butylbenzene;2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;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-3H-pyrrole;4-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;methane
CID 157288239
cumene;icosakis(2-methylpropane);2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;bis(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-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;4-propan-2-yl-1,2,4-triazole
CID 157318180
1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;2,3-ditert-butylfuran;3,4-ditert-butylfuran;1,4-ditert-butylpyrazole;1,5-ditert-butylpyrazole;3,5-ditert-butylpyridazine;2,4-ditert-butylpyridine;2,5-ditert-butylpyridine;bis(4,6-ditert-butyl-1H-pyridin-2-one);2,5-ditert-butylpyrimidine;2,4-ditert-butyl-3H-pyrrole;3,5-ditert-butyl-2H-pyrrole;2,5-ditert-butyl-1,3-thiazole;2,4-ditert-butylthiophene;2,5-ditert-butylthiophene
CID 157388799
3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-4-methylthiophene;tert-butyl 4-(4-propan-2-ylphenyl)piperazine-1-carboxylate;1-tert-butylpyrazole;4-(5-tert-butyl-1,3-thiazol-2-yl)morpholine;4-(4-methylpentyl)morpholine;1-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridine;2-morpholin-4-yl-N-[(3-propan-2-ylphenyl)methyl]ethanamine;4-propan-2-ylphenol;4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]tetrazole;1-(4-propan-2-ylphenyl)piperazine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine
CID 157409591
2-Methyl-5-(4-propan-2-ylphenyl)pyrimidine;tris(5-methyl-2-(4-propan-2-ylphenyl)pyrimidine);1-phenyl-4-propan-2-ylbenzene;3-(3-propan-2-ylphenyl)furan;2-(4-propan-2-ylphenyl)pyrazine;2-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;2-(4-propan-2-ylphenyl)-1,3-thiazole;2-(3-propan-2-ylphenyl)thiophene;3-(3-propan-2-ylphenyl)thiophene
CID 157462105
Ethane;2-methyl-5-(4-methylphenyl)furan;1-methyl-3-(4-methylphenyl)pyrazole;3-methyl-1-(4-methylphenyl)pyrazole;2-methyl-5-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyridine;2-methyl-5-(4-methylphenyl)pyrimidine;5-methyl-2-(4-methylphenyl)pyrimidine;4-methyl-2-(4-methylphenyl)-1,3-thiazole;5-methyl-2-(4-methylphenyl)-1,3-thiazole;2-methyl-5-(4-methylphenyl)thiophene;3-methyl-4-(4-methylphenyl)thiophene;2,3,6-trimethyl-5-(4-methylphenyl)thieno[3,2-b]thiophene
CID 157506414
cumene;methane;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-imidazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-4H-triazole
CID 157930647

Frequently Asked Questions

What is the IUPAC name of bis(tert-butylbenzene);5-tert-butyl-2-but-1-ynylpyridine;2-tert-butylfuran;1-tert-butylimidazole;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylphenol;tris(5-tert-butyl-2-methylpyridine);bis(3-tert-butyl-1-methylpyrrole);1-tert-butyl-4-prop-1-en-2-ylbenzene;3-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;1-(3-tert-butylthiophen-2-yl)ethanone;1-tert-butyltriazole?
The IUPAC name of bis(tert-butylbenzene);5-tert-butyl-2-but-1-ynylpyridine;2-tert-butylfuran;1-tert-butylimidazole;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylphenol;tris(5-tert-butyl-2-methylpyridine);bis(3-tert-butyl-1-methylpyrrole);1-tert-butyl-4-prop-1-en-2-ylbenzene;3-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;1-(3-tert-butylthiophen-2-yl)ethanone;1-tert-butyltriazole (CID 158759698) is bis(tert-butylbenzene);5-tert-butyl-2-but-1-ynylpyridine;2-tert-butylfuran;1-tert-butylimidazole;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylphenol;tris(5-tert-butyl-2-methylpyridine);bis(3-tert-butyl-1-methylpyrrole);1-tert-butyl-4-prop-1-en-2-ylbenzene;3-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;1-(3-tert-butylthiophen-2-yl)ethanone;1-tert-butyltriazole.
What is the SMILES notation for bis(tert-butylbenzene);5-tert-butyl-2-but-1-ynylpyridine;2-tert-butylfuran;1-tert-butylimidazole;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylphenol;tris(5-tert-butyl-2-methylpyridine);bis(3-tert-butyl-1-methylpyrrole);1-tert-butyl-4-prop-1-en-2-ylbenzene;3-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;1-(3-tert-butylthiophen-2-yl)ethanone;1-tert-butyltriazole?
The canonical SMILES for bis(tert-butylbenzene);5-tert-butyl-2-but-1-ynylpyridine;2-tert-butylfuran;1-tert-butylimidazole;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylphenol;tris(5-tert-butyl-2-methylpyridine);bis(3-tert-butyl-1-methylpyrrole);1-tert-butyl-4-prop-1-en-2-ylbenzene;3-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;1-(3-tert-butylthiophen-2-yl)ethanone;1-tert-butyltriazole is C=C(C)c1ccc(C(C)(C)C)cc1.CC(=O)c1sccc1C(C)(C)C.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1cncnc1.CC(C)(C)c1cscn1.CC(C)(C)n1ccnc1.CC(C)(C)n1ccnn1.CCC#Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1O.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cn1ccc(C(C)(C)C)c1.Cn1ccc(C(C)(C)C)c1.
What is the InChIKey of bis(tert-butylbenzene);5-tert-butyl-2-but-1-ynylpyridine;2-tert-butylfuran;1-tert-butylimidazole;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylphenol;tris(5-tert-butyl-2-methylpyridine);bis(3-tert-butyl-1-methylpyrrole);1-tert-butyl-4-prop-1-en-2-ylbenzene;3-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;1-(3-tert-butylthiophen-2-yl)ethanone;1-tert-butyltriazole?
The InChIKey is IOMVNPMTAFLPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N.C13H18.C11H16O.C11H16.3C10H15N.C10H14OS.2C10H14.2C9H15N.C9H13N.C8H12N2.C8H12O.C8H12S.C7H12N2.C7H11NS.C6H11N3/c1-5-6-7-12-9-8-11(10-14-12)13(2,3)4;1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-8-5-6-9(7-10(8)12)11(2,3)4;1-9-5-7-10(8-6-9)11(2,3)4;3*1-8-5-6-9(7-11-8)10(2,3)4;1-7(11)9-8(5-6-12-9)10(2,3)4;2*1-10(2,3)9-7-5-4-6-8-9;2*1-9(2,3)8-5-6-10(4)7-8;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)7-4-9-6-10-5-7;2*1-8(2,3)7-5-4-6-9-7;1-7(2,3)9-5-4-8-6-9;1-7(2,3)6-4-9-5-8-6;1-6(2,3)9-5-4-7-8-9/h8-10H,5H2,1-4H3;6-9H,1H2,2-5H3;5-7,12H,1-4H3;5-8H,1-4H3;3*5-7H,1-4H3;5-6H,1-4H3;2*4-8H,1-3H3;2*5-7H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;3*4-6H,1-3H3;2*4-5H,1-3H3.
What are the key properties of bis(tert-butylbenzene);5-tert-butyl-2-but-1-ynylpyridine;2-tert-butylfuran;1-tert-butylimidazole;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylphenol;tris(5-tert-butyl-2-methylpyridine);bis(3-tert-butyl-1-methylpyrrole);1-tert-butyl-4-prop-1-en-2-ylbenzene;3-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;1-(3-tert-butylthiophen-2-yl)ethanone;1-tert-butyltriazole?
bis(tert-butylbenzene);5-tert-butyl-2-but-1-ynylpyridine;2-tert-butylfuran;1-tert-butylimidazole;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylphenol;tris(5-tert-butyl-2-methylpyridine);bis(3-tert-butyl-1-methylpyrrole);1-tert-butyl-4-prop-1-en-2-ylbenzene;3-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;1-(3-tert-butylthiophen-2-yl)ethanone;1-tert-butyltriazole has a molecular weight of 2773.41 g/mol, XLogP of 50.26, 2 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tert-butylbenzene);5-tert-butyl-2-but-1-ynylpyridine;2-tert-butylfuran;1-tert-butylimidazole;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylphenol;tris(5-tert-butyl-2-methylpyridine);bis(3-tert-butyl-1-methylpyrrole);1-tert-butyl-4-prop-1-en-2-ylbenzene;3-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;1-(3-tert-butylthiophen-2-yl)ethanone;1-tert-butyltriazole is sourced from PubChem (CID 158759698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).