tert-butylbenzene;1-tert-butyl-2-chlorobenzene;bis(6-tert-butyl-2,3-dihydroisoindol-1-one);5-tert-butyl-2-fluorobenzamide;tert-butyl N-(2-hydroxy-2,5,5-trimethylhex-3-ynyl)carbamate;4-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;4-tert-butyl-1-propan-2-ylpyrazole;2-tert-butylpyridine;4-tert-butyl-1H-pyridin-2-one;2-tert-butylpyrimidine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-(5-tert-butyl-1,3-thiazol-2-yl)propan-2-ol;4-tert-butyl-2H-triazole;1,1-difluoro-2,5,5-trimethylhex-3-yn-2-ol;ethane;1-fluoro-2-(fluoromethyl)-5,5-dimethylhex-3-yn-2-ol;1-fluoro-2,5,5-trimethylhex-3-yn-2-ol;2,5,5-trimethylhex-3-yne-1,2-diol;2,5,5-trimethylhex-3-yn-2-ol

C224H346ClF6N25O15S — CID 158355664

IUPACtert-butylbenzene;1-tert-butyl-2-chlorobenzene;bis(6-tert-butyl-2,3-dihydroisoindol-1-one);5-tert-butyl-2-fluorobenzamide;tert-butyl N-(2-hydroxy-2,5,5-trimethylhex-3-ynyl)carbamate;4-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;4-tert-butyl-1-propan-2-ylpyrazole;2-tert-butylpyridine;4-tert-butyl-1H-pyridin-2-one;2-tert-butylpyrimidine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-(5-tert-butyl-1,3-thiazol-2-yl)propan-2-ol;4-tert-butyl-2H-triazole;1,1-difluoro-2,5,5-trimethylhex-3-yn-2-ol;ethane;1-fluoro-2-(fluoromethyl)-5,5-dimethylhex-3-yn-2-ol;1-fluoro-2,5,5-trimethylhex-3-yn-2-ol;2,5,5-trimethylhex-3-yne-1,2-diol;2,5,5-trimethylhex-3-yn-2-ol
SMILESCC.CC(C)(C)C#CC(C)(C)O.CC(C)(C)C#CC(C)(O)C(F)F.CC(C)(C)C#CC(C)(O)CF.CC(C)(C)C#CC(C)(O)CNC(=O)OC(C)(C)C.CC(C)(C)C#CC(C)(O)CO.CC(C)(C)C#CC(O)(CF)CF.CC(C)(C)c1cc[nH]c(=O)c1.CC(C)(C)c1ccc(F)c(C(N)=O)c1.CC(C)(C)c1ccc2c(c1)C(=O)NC2.CC(C)(C)c1ccc2c(c1)C(=O)NC2.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1Cl.CC(C)(C)c1ccccn1.CC(C)(C)c1cn[nH]n1.CC(C)(C)c1cnc(C(C)(C)O)s1.CC(C)(C)c1cnc2[nH]ccc2c1.CC(C)(C)c1cnc2[nH]ccc2c1.CC(C)(C)c1ncccn1.CC(C)n1cc(C(C)(C)C)cn1.COc1cc(C(C)(C)C)ccn1.Cn1cc(C(C)(C)C)cn1.Cn1cnc(C(C)(C)C)c1.Cn1nccc1C(C)(C)C
InChIInChI=1S/C14H25NO3.2C12H15NO.C11H14FNO.2C11H14N2.C10H13Cl.C10H18N2.C10H17NOS.C10H15NO.C10H14.2C9H14F2O.C9H15FO.C9H13NO.C9H13N.C9H16O2.C9H16O.3C8H14N2.C8H12N2.C6H11N3.C2H6/c1-12(2,3)8-9-14(7,17)10-15-11(16)18-13(4,5)6;2*1-12(2,3)9-5-4-8-7-13-11(14)10(8)6-9;1-11(2,3)7-4-5-9(12)8(6-7)10(13)14;2*1-11(2,3)9-6-8-4-5-12-10(8)13-7-9;1-10(2,3)8-6-4-5-7-9(8)11;1-8(2)12-7-9(6-11-12)10(3,4)5;1-9(2,3)7-6-11-8(13-7)10(4,5)12;1-10(2,3)8-5-6-11-9(7-8)12-4;1-10(2,3)9-7-5-4-6-8-9;1-8(2,3)5-6-9(4,12)7(10)11;1-8(2,3)4-5-9(12,6-10)7-11;1-8(2,3)5-6-9(4,11)7-10;1-9(2,3)7-4-5-10-8(11)6-7;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)5-6-9(4,11)7-10;1-8(2,3)6-7-9(4,5)10;1-8(2,3)7-5-10(4)6-9-7;1-8(2,3)7-5-9-10(4)6-7;1-8(2,3)7-5-6-9-10(7)4;1-8(2,3)7-9-5-4-6-10-7;1-6(2,3)5-4-7-9-8-5;1-2/h17H,10H2,1-7H3,(H,15,16);2*4-6H,7H2,1-3H3,(H,13,14);4-6H,1-3H3,(H2,13,14);2*4-7H,1-3H3,(H,12,13);4-7H,1-3H3;6-8H,1-5H3;6,12H,1-5H3;5-7H,1-4H3;4-8H,1-3H3;7,12H,1-4H3;12H,6-7H2,1-3H3;11H,7H2,1-4H3;4-6H,1-3H3,(H,10,11);4-7H,1-3H3;10-11H,7H2,1-4H3;10H,1-5H3;3*5-6H,1-4H3;4-6H,1-3H3;4H,1-3H3,(H,7,8,9);1-2H3
InChIKeyGSVONUQSSOITRR-UHFFFAOYSA-N
MW3810.90 g/mol
LogP50.36
Rot. Bonds11

About tert-butylbenzene;1-tert-butyl-2-chlorobenzene;bis(6-tert-butyl-2,3-dihydroisoindol-1-one);5-tert-butyl-2-fluorobenzamide;tert-butyl N-(2-hydroxy-2,5,5-trimethylhex-3-ynyl)carbamate;4-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;4-tert-butyl-1-propan-2-ylpyrazole;2-tert-butylpyridine;4-tert-butyl-1H-pyridin-2-one;2-tert-butylpyrimidine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-(5-tert-butyl-1,3-thiazol-2-yl)propan-2-ol;4-tert-butyl-2H-triazole;1,1-difluoro-2,5,5-trimethylhex-3-yn-2-ol;ethane;1-fluoro-2-(fluoromethyl)-5,5-dimethylhex-3-yn-2-ol;1-fluoro-2,5,5-trimethylhex-3-yn-2-ol;2,5,5-trimethylhex-3-yne-1,2-diol;2,5,5-trimethylhex-3-yn-2-ol

tert-butylbenzene;1-tert-butyl-2-chlorobenzene;bis(6-tert-butyl-2,3-dihydroisoindol-1-one);5-tert-butyl-2-fluorobenzamide;tert-butyl N-(2-hydroxy-2,5,5-trimethylhex-3-ynyl)carbamate;4-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;4-tert-butyl-1-propan-2-ylpyrazole;2-tert-butylpyridine;4-tert-butyl-1H-pyridin-2-one;2-tert-butylpyrimidine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-(5-tert-butyl-1,3-thiazol-2-yl)propan-2-ol;4-tert-butyl-2H-triazole;1,1-difluoro-2,5,5-trimethylhex-3-yn-2-ol;ethane;1-fluoro-2-(fluoromethyl)-5,5-dimethylhex-3-yn-2-ol;1-fluoro-2,5,5-trimethylhex-3-yn-2-ol;2,5,5-trimethylhex-3-yne-1,2-diol;2,5,5-trimethylhex-3-yn-2-ol (PubChem CID 158355664) has the molecular formula C224H346ClF6N25O15S and a molecular weight of 3810.90 g/mol. Its IUPAC name is tert-butylbenzene;1-tert-butyl-2-chlorobenzene;bis(6-tert-butyl-2,3-dihydroisoindol-1-one);5-tert-butyl-2-fluorobenzamide;tert-butyl N-(2-hydroxy-2,5,5-trimethylhex-3-ynyl)carbamate;4-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;4-tert-butyl-1-propan-2-ylpyrazole;2-tert-butylpyridine;4-tert-butyl-1H-pyridin-2-one;2-tert-butylpyrimidine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-(5-tert-butyl-1,3-thiazol-2-yl)propan-2-ol;4-tert-butyl-2H-triazole;1,1-difluoro-2,5,5-trimethylhex-3-yn-2-ol;ethane;1-fluoro-2-(fluoromethyl)-5,5-dimethylhex-3-yn-2-ol;1-fluoro-2,5,5-trimethylhex-3-yn-2-ol;2,5,5-trimethylhex-3-yne-1,2-diol;2,5,5-trimethylhex-3-yn-2-ol.

Molecular Properties

Compound Nametert-butylbenzene;1-tert-butyl-2-chlorobenzene;bis(6-tert-butyl-2,3-dihydroisoindol-1-one);5-tert-butyl-2-fluorobenzamide;tert-butyl N-(2-hydroxy-2,5,5-trimethylhex-3-ynyl)carbamate;4-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;4-tert-butyl-1-propan-2-ylpyrazole;2-tert-butylpyridine;4-tert-butyl-1H-pyridin-2-one;2-tert-butylpyrimidine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-(5-tert-butyl-1,3-thiazol-2-yl)propan-2-ol;4-tert-butyl-2H-triazole;1,1-difluoro-2,5,5-trimethylhex-3-yn-2-ol;ethane;1-fluoro-2-(fluoromethyl)-5,5-dimethylhex-3-yn-2-ol;1-fluoro-2,5,5-trimethylhex-3-yn-2-ol;2,5,5-trimethylhex-3-yne-1,2-diol;2,5,5-trimethylhex-3-yn-2-ol
PubChem CID158355664
Molecular FormulaC224H346ClF6N25O15S
Molecular Weight3810.90 g/mol
Exact Mass3807.64
IUPAC Nametert-butylbenzene;1-tert-butyl-2-chlorobenzene;bis(6-tert-butyl-2,3-dihydroisoindol-1-one);5-tert-butyl-2-fluorobenzamide;tert-butyl N-(2-hydroxy-2,5,5-trimethylhex-3-ynyl)carbamate;4-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;4-tert-butyl-1-propan-2-ylpyrazole;2-tert-butylpyridine;4-tert-butyl-1H-pyridin-2-one;2-tert-butylpyrimidine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-(5-tert-butyl-1,3-thiazol-2-yl)propan-2-ol;4-tert-butyl-2H-triazole;1,1-difluoro-2,5,5-trimethylhex-3-yn-2-ol;ethane;1-fluoro-2-(fluoromethyl)-5,5-dimethylhex-3-yn-2-ol;1-fluoro-2,5,5-trimethylhex-3-yn-2-ol;2,5,5-trimethylhex-3-yne-1,2-diol;2,5,5-trimethylhex-3-yn-2-ol
SMILESCC.CC(C)(C)C#CC(C)(C)O.CC(C)(C)C#CC(C)(O)C(F)F.CC(C)(C)C#CC(C)(O)CF.CC(C)(C)C#CC(C)(O)CNC(=O)OC(C)(C)C.CC(C)(C)C#CC(C)(O)CO.CC(C)(C)C#CC(O)(CF)CF.CC(C)(C)c1cc[nH]c(=O)c1.CC(C)(C)c1ccc(F)c(C(N)=O)c1.CC(C)(C)c1ccc2c(c1)C(=O)NC2.CC(C)(C)c1ccc2c(c1)C(=O)NC2.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1Cl.CC(C)(C)c1ccccn1.CC(C)(C)c1cn[nH]n1.CC(C)(C)c1cnc(C(C)(C)O)s1.CC(C)(C)c1cnc2[nH]ccc2c1.CC(C)(C)c1cnc2[nH]ccc2c1.CC(C)(C)c1ncccn1.CC(C)n1cc(C(C)(C)C)cn1.COc1cc(C(C)(C)C)ccn1.Cn1cc(C(C)(C)C)cn1.Cn1cnc(C(C)(C)C)c1.Cn1nccc1C(C)(C)C
InChIInChI=1S/C14H25NO3.2C12H15NO.C11H14FNO.2C11H14N2.C10H13Cl.C10H18N2.C10H17NOS.C10H15NO.C10H14.2C9H14F2O.C9H15FO.C9H13NO.C9H13N.C9H16O2.C9H16O.3C8H14N2.C8H12N2.C6H11N3.C2H6/c1-12(2,3)8-9-14(7,17)10-15-11(16)18-13(4,5)6;2*1-12(2,3)9-5-4-8-7-13-11(14)10(8)6-9;1-11(2,3)7-4-5-9(12)8(6-7)10(13)14;2*1-11(2,3)9-6-8-4-5-12-10(8)13-7-9;1-10(2,3)8-6-4-5-7-9(8)11;1-8(2)12-7-9(6-11-12)10(3,4)5;1-9(2,3)7-6-11-8(13-7)10(4,5)12;1-10(2,3)8-5-6-11-9(7-8)12-4;1-10(2,3)9-7-5-4-6-8-9;1-8(2,3)5-6-9(4,12)7(10)11;1-8(2,3)4-5-9(12,6-10)7-11;1-8(2,3)5-6-9(4,11)7-10;1-9(2,3)7-4-5-10-8(11)6-7;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)5-6-9(4,11)7-10;1-8(2,3)6-7-9(4,5)10;1-8(2,3)7-5-10(4)6-9-7;1-8(2,3)7-5-9-10(4)6-7;1-8(2,3)7-5-6-9-10(7)4;1-8(2,3)7-9-5-4-6-10-7;1-6(2,3)5-4-7-9-8-5;1-2/h17H,10H2,1-7H3,(H,15,16);2*4-6H,7H2,1-3H3,(H,13,14);4-6H,1-3H3,(H2,13,14);2*4-7H,1-3H3,(H,12,13);4-7H,1-3H3;6-8H,1-5H3;6,12H,1-5H3;5-7H,1-4H3;4-8H,1-3H3;7,12H,1-4H3;12H,6-7H2,1-3H3;11H,7H2,1-4H3;4-6H,1-3H3,(H,10,11);4-7H,1-3H3;10-11H,7H2,1-4H3;10H,1-5H3;3*5-6H,1-4H3;4-6H,1-3H3;4H,1-3H3,(H,7,8,9);1-2H3
InChIKeyGSVONUQSSOITRR-UHFFFAOYSA-N
XLogP50.36
TPSA578.21 Ų
H-Bond Donors16
H-Bond Acceptors33
Rotatable Bonds11
Heavy Atoms272
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003810.90
LogP ≤ 550.36
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1033

Analyze tert-butylbenzene;1-tert-butyl-2-chlorobenzene;bis(6-tert-butyl-2,3-dihydroisoindol-1-one);5-tert-butyl-2-fluorobenzamide;tert-butyl N-(2-hydroxy-2,5,5-trimethylhex-3-ynyl)carbamate;4-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;4-tert-butyl-1-propan-2-ylpyrazole;2-tert-butylpyridine;4-tert-butyl-1H-pyridin-2-one;2-tert-butylpyrimidine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-(5-tert-butyl-1,3-thiazol-2-yl)propan-2-ol;4-tert-butyl-2H-triazole;1,1-difluoro-2,5,5-trimethylhex-3-yn-2-ol;ethane;1-fluoro-2-(fluoromethyl)-5,5-dimethylhex-3-yn-2-ol;1-fluoro-2,5,5-trimethylhex-3-yn-2-ol;2,5,5-trimethylhex-3-yne-1,2-diol;2,5,5-trimethylhex-3-yn-2-ol with MolForge

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Related Compounds

7-tert-butyl-4-chloroquinoline;tert-butyl 3-(2,2-dimethylpropyl)azetidine-1-carboxylate;6-tert-butylisoquinoline;1-tert-butyl-4-methylcyclohexane;7-tert-butylquinoline;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;5-(3,3-dimethylbutyl)-1H-imidazole;5-(3,3-dimethylbutyl)-4-methyl-1,3-thiazole;2-(3,3-dimethylbutyl)pyridine;1,4-dimethylcyclohexane;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;1-(2,2-dimethylpropyl)-2-methylimidazole;1-(2,2-dimethylpropyl)-5-methylpyrazole;3-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)oxolane;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene;ethane
CID 159376330
tert-butylbenzene;1-tert-butyl-2-chlorobenzene;6-tert-butyl-2,3-dihydroisoindol-1-one;5-tert-butyl-2-fluorobenzamide;tert-butyl N-(2-hydroxy-2,5,5-trimethylhex-3-ynyl)carbamate;4-tert-butyl-2-methoxypyridine;5-tert-butyl-3-methylidene-1,2-dihydroisoindole;4-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;4-tert-butyl-1-propan-2-ylpyrazole;2-tert-butylpyridine;4-tert-butyl-1H-pyridin-2-one;2-tert-butylpyrimidine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-(5-tert-butyl-1,3-thiazol-2-yl)propan-2-ol;4-tert-butyl-2H-triazole;1,4-ditert-butylpyrazole;1,1-difluoro-2,5,5-trimethylhex-3-yn-2-ol;ethane;1-fluoro-2-(fluoromethyl)-5,5-dimethylhex-3-yn-2-ol;1-fluoro-2,5,5-trimethylhex-3-yn-2-ol;2,5,5-trimethylhex-3-yne-1,2-diol;2,5,5-trimethylhex-3-yn-2-ol
CID 158733997
tert-butyl N-[3-oxo-3-[[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methylamino]propyl]carbamate;4-(5-chlorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;4-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide;4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine;1-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanone;[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanol;1-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]ethanone;4-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridine
CID 158930208
tert-butylbenzene;1-tert-butyl-2-chlorobenzene;bis(6-tert-butyl-2,3-dihydroisoindol-1-one);5-tert-butyl-2-fluorobenzamide;tert-butyl N-(2-hydroxy-2,5,5-trimethylhex-3-ynyl)carbamate;4-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylpyrazole;4-tert-butyl-1-propan-2-ylpyrazole;2-tert-butylpyridine;4-tert-butyl-1H-pyridin-2-one;2-tert-butylpyrimidine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-(5-tert-butyl-1,3-thiazol-2-yl)propan-2-ol;4-tert-butyl-2H-triazole;ethane;1-fluoro-2,5,5-trimethylhex-3-yn-2-ol;2,5,5-trimethylhex-3-yne-1,2-diol;2,5,5-trimethylhex-3-yn-2-ol
CID 160362746

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;1-tert-butyl-2-chlorobenzene;bis(6-tert-butyl-2,3-dihydroisoindol-1-one);5-tert-butyl-2-fluorobenzamide;tert-butyl N-(2-hydroxy-2,5,5-trimethylhex-3-ynyl)carbamate;4-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;4-tert-butyl-1-propan-2-ylpyrazole;2-tert-butylpyridine;4-tert-butyl-1H-pyridin-2-one;2-tert-butylpyrimidine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-(5-tert-butyl-1,3-thiazol-2-yl)propan-2-ol;4-tert-butyl-2H-triazole;1,1-difluoro-2,5,5-trimethylhex-3-yn-2-ol;ethane;1-fluoro-2-(fluoromethyl)-5,5-dimethylhex-3-yn-2-ol;1-fluoro-2,5,5-trimethylhex-3-yn-2-ol;2,5,5-trimethylhex-3-yne-1,2-diol;2,5,5-trimethylhex-3-yn-2-ol?
The IUPAC name of tert-butylbenzene;1-tert-butyl-2-chlorobenzene;bis(6-tert-butyl-2,3-dihydroisoindol-1-one);5-tert-butyl-2-fluorobenzamide;tert-butyl N-(2-hydroxy-2,5,5-trimethylhex-3-ynyl)carbamate;4-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;4-tert-butyl-1-propan-2-ylpyrazole;2-tert-butylpyridine;4-tert-butyl-1H-pyridin-2-one;2-tert-butylpyrimidine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-(5-tert-butyl-1,3-thiazol-2-yl)propan-2-ol;4-tert-butyl-2H-triazole;1,1-difluoro-2,5,5-trimethylhex-3-yn-2-ol;ethane;1-fluoro-2-(fluoromethyl)-5,5-dimethylhex-3-yn-2-ol;1-fluoro-2,5,5-trimethylhex-3-yn-2-ol;2,5,5-trimethylhex-3-yne-1,2-diol;2,5,5-trimethylhex-3-yn-2-ol (CID 158355664) is tert-butylbenzene;1-tert-butyl-2-chlorobenzene;bis(6-tert-butyl-2,3-dihydroisoindol-1-one);5-tert-butyl-2-fluorobenzamide;tert-butyl N-(2-hydroxy-2,5,5-trimethylhex-3-ynyl)carbamate;4-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;4-tert-butyl-1-propan-2-ylpyrazole;2-tert-butylpyridine;4-tert-butyl-1H-pyridin-2-one;2-tert-butylpyrimidine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-(5-tert-butyl-1,3-thiazol-2-yl)propan-2-ol;4-tert-butyl-2H-triazole;1,1-difluoro-2,5,5-trimethylhex-3-yn-2-ol;ethane;1-fluoro-2-(fluoromethyl)-5,5-dimethylhex-3-yn-2-ol;1-fluoro-2,5,5-trimethylhex-3-yn-2-ol;2,5,5-trimethylhex-3-yne-1,2-diol;2,5,5-trimethylhex-3-yn-2-ol.
What is the SMILES notation for tert-butylbenzene;1-tert-butyl-2-chlorobenzene;bis(6-tert-butyl-2,3-dihydroisoindol-1-one);5-tert-butyl-2-fluorobenzamide;tert-butyl N-(2-hydroxy-2,5,5-trimethylhex-3-ynyl)carbamate;4-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;4-tert-butyl-1-propan-2-ylpyrazole;2-tert-butylpyridine;4-tert-butyl-1H-pyridin-2-one;2-tert-butylpyrimidine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-(5-tert-butyl-1,3-thiazol-2-yl)propan-2-ol;4-tert-butyl-2H-triazole;1,1-difluoro-2,5,5-trimethylhex-3-yn-2-ol;ethane;1-fluoro-2-(fluoromethyl)-5,5-dimethylhex-3-yn-2-ol;1-fluoro-2,5,5-trimethylhex-3-yn-2-ol;2,5,5-trimethylhex-3-yne-1,2-diol;2,5,5-trimethylhex-3-yn-2-ol?
The canonical SMILES for tert-butylbenzene;1-tert-butyl-2-chlorobenzene;bis(6-tert-butyl-2,3-dihydroisoindol-1-one);5-tert-butyl-2-fluorobenzamide;tert-butyl N-(2-hydroxy-2,5,5-trimethylhex-3-ynyl)carbamate;4-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;4-tert-butyl-1-propan-2-ylpyrazole;2-tert-butylpyridine;4-tert-butyl-1H-pyridin-2-one;2-tert-butylpyrimidine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-(5-tert-butyl-1,3-thiazol-2-yl)propan-2-ol;4-tert-butyl-2H-triazole;1,1-difluoro-2,5,5-trimethylhex-3-yn-2-ol;ethane;1-fluoro-2-(fluoromethyl)-5,5-dimethylhex-3-yn-2-ol;1-fluoro-2,5,5-trimethylhex-3-yn-2-ol;2,5,5-trimethylhex-3-yne-1,2-diol;2,5,5-trimethylhex-3-yn-2-ol is CC.CC(C)(C)C#CC(C)(C)O.CC(C)(C)C#CC(C)(O)C(F)F.CC(C)(C)C#CC(C)(O)CF.CC(C)(C)C#CC(C)(O)CNC(=O)OC(C)(C)C.CC(C)(C)C#CC(C)(O)CO.CC(C)(C)C#CC(O)(CF)CF.CC(C)(C)c1cc[nH]c(=O)c1.CC(C)(C)c1ccc(F)c(C(N)=O)c1.CC(C)(C)c1ccc2c(c1)C(=O)NC2.CC(C)(C)c1ccc2c(c1)C(=O)NC2.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1Cl.CC(C)(C)c1ccccn1.CC(C)(C)c1cn[nH]n1.CC(C)(C)c1cnc(C(C)(C)O)s1.CC(C)(C)c1cnc2[nH]ccc2c1.CC(C)(C)c1cnc2[nH]ccc2c1.CC(C)(C)c1ncccn1.CC(C)n1cc(C(C)(C)C)cn1.COc1cc(C(C)(C)C)ccn1.Cn1cc(C(C)(C)C)cn1.Cn1cnc(C(C)(C)C)c1.Cn1nccc1C(C)(C)C.
What is the InChIKey of tert-butylbenzene;1-tert-butyl-2-chlorobenzene;bis(6-tert-butyl-2,3-dihydroisoindol-1-one);5-tert-butyl-2-fluorobenzamide;tert-butyl N-(2-hydroxy-2,5,5-trimethylhex-3-ynyl)carbamate;4-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;4-tert-butyl-1-propan-2-ylpyrazole;2-tert-butylpyridine;4-tert-butyl-1H-pyridin-2-one;2-tert-butylpyrimidine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-(5-tert-butyl-1,3-thiazol-2-yl)propan-2-ol;4-tert-butyl-2H-triazole;1,1-difluoro-2,5,5-trimethylhex-3-yn-2-ol;ethane;1-fluoro-2-(fluoromethyl)-5,5-dimethylhex-3-yn-2-ol;1-fluoro-2,5,5-trimethylhex-3-yn-2-ol;2,5,5-trimethylhex-3-yne-1,2-diol;2,5,5-trimethylhex-3-yn-2-ol?
The InChIKey is GSVONUQSSOITRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3.2C12H15NO.C11H14FNO.2C11H14N2.C10H13Cl.C10H18N2.C10H17NOS.C10H15NO.C10H14.2C9H14F2O.C9H15FO.C9H13NO.C9H13N.C9H16O2.C9H16O.3C8H14N2.C8H12N2.C6H11N3.C2H6/c1-12(2,3)8-9-14(7,17)10-15-11(16)18-13(4,5)6;2*1-12(2,3)9-5-4-8-7-13-11(14)10(8)6-9;1-11(2,3)7-4-5-9(12)8(6-7)10(13)14;2*1-11(2,3)9-6-8-4-5-12-10(8)13-7-9;1-10(2,3)8-6-4-5-7-9(8)11;1-8(2)12-7-9(6-11-12)10(3,4)5;1-9(2,3)7-6-11-8(13-7)10(4,5)12;1-10(2,3)8-5-6-11-9(7-8)12-4;1-10(2,3)9-7-5-4-6-8-9;1-8(2,3)5-6-9(4,12)7(10)11;1-8(2,3)4-5-9(12,6-10)7-11;1-8(2,3)5-6-9(4,11)7-10;1-9(2,3)7-4-5-10-8(11)6-7;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)5-6-9(4,11)7-10;1-8(2,3)6-7-9(4,5)10;1-8(2,3)7-5-10(4)6-9-7;1-8(2,3)7-5-9-10(4)6-7;1-8(2,3)7-5-6-9-10(7)4;1-8(2,3)7-9-5-4-6-10-7;1-6(2,3)5-4-7-9-8-5;1-2/h17H,10H2,1-7H3,(H,15,16);2*4-6H,7H2,1-3H3,(H,13,14);4-6H,1-3H3,(H2,13,14);2*4-7H,1-3H3,(H,12,13);4-7H,1-3H3;6-8H,1-5H3;6,12H,1-5H3;5-7H,1-4H3;4-8H,1-3H3;7,12H,1-4H3;12H,6-7H2,1-3H3;11H,7H2,1-4H3;4-6H,1-3H3,(H,10,11);4-7H,1-3H3;10-11H,7H2,1-4H3;10H,1-5H3;3*5-6H,1-4H3;4-6H,1-3H3;4H,1-3H3,(H,7,8,9);1-2H3.
What are the key properties of tert-butylbenzene;1-tert-butyl-2-chlorobenzene;bis(6-tert-butyl-2,3-dihydroisoindol-1-one);5-tert-butyl-2-fluorobenzamide;tert-butyl N-(2-hydroxy-2,5,5-trimethylhex-3-ynyl)carbamate;4-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;4-tert-butyl-1-propan-2-ylpyrazole;2-tert-butylpyridine;4-tert-butyl-1H-pyridin-2-one;2-tert-butylpyrimidine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-(5-tert-butyl-1,3-thiazol-2-yl)propan-2-ol;4-tert-butyl-2H-triazole;1,1-difluoro-2,5,5-trimethylhex-3-yn-2-ol;ethane;1-fluoro-2-(fluoromethyl)-5,5-dimethylhex-3-yn-2-ol;1-fluoro-2,5,5-trimethylhex-3-yn-2-ol;2,5,5-trimethylhex-3-yne-1,2-diol;2,5,5-trimethylhex-3-yn-2-ol?
tert-butylbenzene;1-tert-butyl-2-chlorobenzene;bis(6-tert-butyl-2,3-dihydroisoindol-1-one);5-tert-butyl-2-fluorobenzamide;tert-butyl N-(2-hydroxy-2,5,5-trimethylhex-3-ynyl)carbamate;4-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;4-tert-butyl-1-propan-2-ylpyrazole;2-tert-butylpyridine;4-tert-butyl-1H-pyridin-2-one;2-tert-butylpyrimidine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-(5-tert-butyl-1,3-thiazol-2-yl)propan-2-ol;4-tert-butyl-2H-triazole;1,1-difluoro-2,5,5-trimethylhex-3-yn-2-ol;ethane;1-fluoro-2-(fluoromethyl)-5,5-dimethylhex-3-yn-2-ol;1-fluoro-2,5,5-trimethylhex-3-yn-2-ol;2,5,5-trimethylhex-3-yne-1,2-diol;2,5,5-trimethylhex-3-yn-2-ol has a molecular weight of 3810.90 g/mol, XLogP of 50.36, 11 rotatable bonds, 16 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;1-tert-butyl-2-chlorobenzene;bis(6-tert-butyl-2,3-dihydroisoindol-1-one);5-tert-butyl-2-fluorobenzamide;tert-butyl N-(2-hydroxy-2,5,5-trimethylhex-3-ynyl)carbamate;4-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;4-tert-butyl-1-propan-2-ylpyrazole;2-tert-butylpyridine;4-tert-butyl-1H-pyridin-2-one;2-tert-butylpyrimidine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-(5-tert-butyl-1,3-thiazol-2-yl)propan-2-ol;4-tert-butyl-2H-triazole;1,1-difluoro-2,5,5-trimethylhex-3-yn-2-ol;ethane;1-fluoro-2-(fluoromethyl)-5,5-dimethylhex-3-yn-2-ol;1-fluoro-2,5,5-trimethylhex-3-yn-2-ol;2,5,5-trimethylhex-3-yne-1,2-diol;2,5,5-trimethylhex-3-yn-2-ol is sourced from PubChem (CID 158355664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).