2,4-ditert-butylfuran;1,4-ditert-butylimidazole;2,5-ditert-butyl-1H-imidazole;2,4-ditert-butyl-1-methylimidazole;4,6-ditert-butyl-3-methylpyridazine;2,4-ditert-butyl-1,3-oxazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;1,5-ditert-butylpyrazole;bis(3,5-ditert-butylpyridazine);bis(2,4-ditert-butylpyridine);2,6-ditert-butylpyridine;3,5-ditert-butylpyridine;2,4-ditert-butylpyrimidine;4,6-ditert-butylpyrimidine;1,3-ditert-butylpyrrole;bis(2,4-ditert-butyl-1,3-thiazole);2,5-ditert-butyl-1,3-thiazole;2,4-ditert-butylthiophene

C260H445N31O2S4 — CID 159978751

IUPAC2,4-ditert-butylfuran;1,4-ditert-butylimidazole;2,5-ditert-butyl-1H-imidazole;2,4-ditert-butyl-1-methylimidazole;4,6-ditert-butyl-3-methylpyridazine;2,4-ditert-butyl-1,3-oxazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;1,5-ditert-butylpyrazole;bis(3,5-ditert-butylpyridazine);bis(2,4-ditert-butylpyridine);2,6-ditert-butylpyridine;3,5-ditert-butylpyridine;2,4-ditert-butylpyrimidine;4,6-ditert-butylpyrimidine;1,3-ditert-butylpyrrole;bis(2,4-ditert-butyl-1,3-thiazole);2,5-ditert-butyl-1,3-thiazole;2,4-ditert-butylthiophene
SMILESCC(C)(C)c1cc(C(C)(C)C)ncn1.CC(C)(C)c1cccc(C(C)(C)C)n1.CC(C)(C)c1ccn(C(C)(C)C)c1.CC(C)(C)c1ccn(C(C)(C)C)n1.CC(C)(C)c1ccnc(C(C)(C)C)c1.CC(C)(C)c1ccnc(C(C)(C)C)c1.CC(C)(C)c1ccnc(C(C)(C)C)n1.CC(C)(C)c1ccnn1C(C)(C)C.CC(C)(C)c1cn(C(C)(C)C)cn1.CC(C)(C)c1cnc(C(C)(C)C)[nH]1.CC(C)(C)c1cnc(C(C)(C)C)s1.CC(C)(C)c1cncc(C(C)(C)C)c1.CC(C)(C)c1cnn(C(C)(C)C)c1.CC(C)(C)c1cnnc(C(C)(C)C)c1.CC(C)(C)c1cnnc(C(C)(C)C)c1.CC(C)(C)c1coc(C(C)(C)C)c1.CC(C)(C)c1coc(C(C)(C)C)n1.CC(C)(C)c1csc(C(C)(C)C)c1.CC(C)(C)c1csc(C(C)(C)C)n1.CC(C)(C)c1csc(C(C)(C)C)n1.Cc1nnc(C(C)(C)C)cc1C(C)(C)C.Cn1cc(C(C)(C)C)nc1C(C)(C)C
InChIInChI=1S/C13H22N2.4C13H21N.C12H22N2.4C12H20N2.C12H21N.C12H20O.C12H20S.5C11H20N2.C11H19NO.3C11H19NS/c1-9-10(12(2,3)4)8-11(15-14-9)13(5,6)7;1-12(2,3)10-7-11(9-14-8-10)13(4,5)6;2*1-12(2,3)10-7-8-14-11(9-10)13(4,5)6;1-12(2,3)10-8-7-9-11(14-10)13(4,5)6;1-11(2,3)9-8-14(7)10(13-9)12(4,5)6;1-11(2,3)9-7-10(12(4,5)6)14-8-13-9;2*1-11(2,3)9-7-10(12(4,5)6)14-13-8-9;1-11(2,3)9-7-8-13-10(14-9)12(4,5)6;1-11(2,3)10-7-8-13(9-10)12(4,5)6;2*1-11(2,3)9-7-10(13-8-9)12(4,5)6;1-10(2,3)9-7-13(8-12-9)11(4,5)6;1-10(2,3)9-7-12-13(8-9)11(4,5)6;1-10(2,3)8-7-12-9(13-8)11(4,5)6;1-10(2,3)9-7-8-13(12-9)11(4,5)6;1-10(2,3)9-7-8-12-13(9)11(4,5)6;3*1-10(2,3)8-7-13-9(12-8)11(4,5)6;1-10(2,3)8-7-12-9(13-8)11(4,5)6/h8H,1-7H3;4*7-9H,1-6H3;8H,1-7H3;4*7-8H,1-6H3;7-9H,1-6H3;4*7-8H,1-6H3;7H,1-6H3,(H,12,13);2*7-8H,1-6H3;4*7H,1-6H3
InChIKeyOFMLMWZTOQDUDT-UHFFFAOYSA-N
MW4165.90 g/mol
LogP74.38
Rot. Bonds

About 2,4-ditert-butylfuran;1,4-ditert-butylimidazole;2,5-ditert-butyl-1H-imidazole;2,4-ditert-butyl-1-methylimidazole;4,6-ditert-butyl-3-methylpyridazine;2,4-ditert-butyl-1,3-oxazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;1,5-ditert-butylpyrazole;bis(3,5-ditert-butylpyridazine);bis(2,4-ditert-butylpyridine);2,6-ditert-butylpyridine;3,5-ditert-butylpyridine;2,4-ditert-butylpyrimidine;4,6-ditert-butylpyrimidine;1,3-ditert-butylpyrrole;bis(2,4-ditert-butyl-1,3-thiazole);2,5-ditert-butyl-1,3-thiazole;2,4-ditert-butylthiophene

2,4-ditert-butylfuran;1,4-ditert-butylimidazole;2,5-ditert-butyl-1H-imidazole;2,4-ditert-butyl-1-methylimidazole;4,6-ditert-butyl-3-methylpyridazine;2,4-ditert-butyl-1,3-oxazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;1,5-ditert-butylpyrazole;bis(3,5-ditert-butylpyridazine);bis(2,4-ditert-butylpyridine);2,6-ditert-butylpyridine;3,5-ditert-butylpyridine;2,4-ditert-butylpyrimidine;4,6-ditert-butylpyrimidine;1,3-ditert-butylpyrrole;bis(2,4-ditert-butyl-1,3-thiazole);2,5-ditert-butyl-1,3-thiazole;2,4-ditert-butylthiophene (PubChem CID 159978751) has the molecular formula C260H445N31O2S4 and a molecular weight of 4165.90 g/mol. Its IUPAC name is 2,4-ditert-butylfuran;1,4-ditert-butylimidazole;2,5-ditert-butyl-1H-imidazole;2,4-ditert-butyl-1-methylimidazole;4,6-ditert-butyl-3-methylpyridazine;2,4-ditert-butyl-1,3-oxazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;1,5-ditert-butylpyrazole;bis(3,5-ditert-butylpyridazine);bis(2,4-ditert-butylpyridine);2,6-ditert-butylpyridine;3,5-ditert-butylpyridine;2,4-ditert-butylpyrimidine;4,6-ditert-butylpyrimidine;1,3-ditert-butylpyrrole;bis(2,4-ditert-butyl-1,3-thiazole);2,5-ditert-butyl-1,3-thiazole;2,4-ditert-butylthiophene.

Molecular Properties

Compound Name2,4-ditert-butylfuran;1,4-ditert-butylimidazole;2,5-ditert-butyl-1H-imidazole;2,4-ditert-butyl-1-methylimidazole;4,6-ditert-butyl-3-methylpyridazine;2,4-ditert-butyl-1,3-oxazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;1,5-ditert-butylpyrazole;bis(3,5-ditert-butylpyridazine);bis(2,4-ditert-butylpyridine);2,6-ditert-butylpyridine;3,5-ditert-butylpyridine;2,4-ditert-butylpyrimidine;4,6-ditert-butylpyrimidine;1,3-ditert-butylpyrrole;bis(2,4-ditert-butyl-1,3-thiazole);2,5-ditert-butyl-1,3-thiazole;2,4-ditert-butylthiophene
PubChem CID159978751
Molecular FormulaC260H445N31O2S4
Molecular Weight4165.90 g/mol
Exact Mass4162.46
IUPAC Name2,4-ditert-butylfuran;1,4-ditert-butylimidazole;2,5-ditert-butyl-1H-imidazole;2,4-ditert-butyl-1-methylimidazole;4,6-ditert-butyl-3-methylpyridazine;2,4-ditert-butyl-1,3-oxazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;1,5-ditert-butylpyrazole;bis(3,5-ditert-butylpyridazine);bis(2,4-ditert-butylpyridine);2,6-ditert-butylpyridine;3,5-ditert-butylpyridine;2,4-ditert-butylpyrimidine;4,6-ditert-butylpyrimidine;1,3-ditert-butylpyrrole;bis(2,4-ditert-butyl-1,3-thiazole);2,5-ditert-butyl-1,3-thiazole;2,4-ditert-butylthiophene
SMILESCC(C)(C)c1cc(C(C)(C)C)ncn1.CC(C)(C)c1cccc(C(C)(C)C)n1.CC(C)(C)c1ccn(C(C)(C)C)c1.CC(C)(C)c1ccn(C(C)(C)C)n1.CC(C)(C)c1ccnc(C(C)(C)C)c1.CC(C)(C)c1ccnc(C(C)(C)C)c1.CC(C)(C)c1ccnc(C(C)(C)C)n1.CC(C)(C)c1ccnn1C(C)(C)C.CC(C)(C)c1cn(C(C)(C)C)cn1.CC(C)(C)c1cnc(C(C)(C)C)[nH]1.CC(C)(C)c1cnc(C(C)(C)C)s1.CC(C)(C)c1cncc(C(C)(C)C)c1.CC(C)(C)c1cnn(C(C)(C)C)c1.CC(C)(C)c1cnnc(C(C)(C)C)c1.CC(C)(C)c1cnnc(C(C)(C)C)c1.CC(C)(C)c1coc(C(C)(C)C)c1.CC(C)(C)c1coc(C(C)(C)C)n1.CC(C)(C)c1csc(C(C)(C)C)c1.CC(C)(C)c1csc(C(C)(C)C)n1.CC(C)(C)c1csc(C(C)(C)C)n1.Cc1nnc(C(C)(C)C)cc1C(C)(C)C.Cn1cc(C(C)(C)C)nc1C(C)(C)C
InChIInChI=1S/C13H22N2.4C13H21N.C12H22N2.4C12H20N2.C12H21N.C12H20O.C12H20S.5C11H20N2.C11H19NO.3C11H19NS/c1-9-10(12(2,3)4)8-11(15-14-9)13(5,6)7;1-12(2,3)10-7-11(9-14-8-10)13(4,5)6;2*1-12(2,3)10-7-8-14-11(9-10)13(4,5)6;1-12(2,3)10-8-7-9-11(14-10)13(4,5)6;1-11(2,3)9-8-14(7)10(13-9)12(4,5)6;1-11(2,3)9-7-10(12(4,5)6)14-8-13-9;2*1-11(2,3)9-7-10(12(4,5)6)14-13-8-9;1-11(2,3)9-7-8-13-10(14-9)12(4,5)6;1-11(2,3)10-7-8-13(9-10)12(4,5)6;2*1-11(2,3)9-7-10(13-8-9)12(4,5)6;1-10(2,3)9-7-13(8-12-9)11(4,5)6;1-10(2,3)9-7-12-13(8-9)11(4,5)6;1-10(2,3)8-7-12-9(13-8)11(4,5)6;1-10(2,3)9-7-8-13(12-9)11(4,5)6;1-10(2,3)9-7-8-12-13(9)11(4,5)6;3*1-10(2,3)8-7-13-9(12-8)11(4,5)6;1-10(2,3)8-7-12-9(13-8)11(4,5)6/h8H,1-7H3;4*7-9H,1-6H3;8H,1-7H3;4*7-8H,1-6H3;7-9H,1-6H3;4*7-8H,1-6H3;7H,1-6H3,(H,12,13);2*7-8H,1-6H3;4*7H,1-6H3
InChIKeyOFMLMWZTOQDUDT-UHFFFAOYSA-N
XLogP74.38
TPSA381.01 Ų
H-Bond Donors1
H-Bond Acceptors36
Rotatable Bonds
Heavy Atoms297
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004165.90
LogP ≤ 574.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1036

Analyze 2,4-ditert-butylfuran;1,4-ditert-butylimidazole;2,5-ditert-butyl-1H-imidazole;2,4-ditert-butyl-1-methylimidazole;4,6-ditert-butyl-3-methylpyridazine;2,4-ditert-butyl-1,3-oxazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;1,5-ditert-butylpyrazole;bis(3,5-ditert-butylpyridazine);bis(2,4-ditert-butylpyridine);2,6-ditert-butylpyridine;3,5-ditert-butylpyridine;2,4-ditert-butylpyrimidine;4,6-ditert-butylpyrimidine;1,3-ditert-butylpyrrole;bis(2,4-ditert-butyl-1,3-thiazole);2,5-ditert-butyl-1,3-thiazole;2,4-ditert-butylthiophene with MolForge

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Launch Full Analysis

Related Compounds

CID 157181702
CID 157181702
1-tert-butyl-4-propan-2-ylcyclohexane;2-tert-butyl-5-propan-2-ylthiophene;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;1,1-difluoro-4-propan-2-ylcyclohexane;1,1-dimethyl-4-propan-2-ylcyclohexane;1,4-di(propan-2-yl)cyclohexane;1-ethyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-phenyl-5-propan-2-ylthiophene;propan-2-ylcyclohexane;propan-2-ylcyclopentane;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;2-propan-2-yloxolane;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-yl-3H-pyrrole;2-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;2,2,3-trimethylbutan-1-ol
CID 157759188
CID 157902277
CID 157902277
2-chloro-3-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,5-dimethyl-3-propan-2-yl-2H-pyrrole;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(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-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine
CID 158019428
CID 158046770
CID 158046770
cumene;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylpyrrole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;1-methyl-3-propan-2-ylbenzene;4-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;5-propan-2-yl-3-propyl-1,2,4-oxadiazole;bis(1-propan-2-ylpyrazole);2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-propan-2-ylpyridine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole
CID 158110433
cumene;2-cyclopropyl-5-propan-2-ylpyridine;1,2-dimethyl-5-propan-2-ylimidazole;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)pyridine;1-hydroxy-3-propan-2-ylpyridin-1-ium;methane;2-methyl-5-propan-2-yl-1H-imidazole;pentakis(2-methyl-5-propan-2-ylpyridine);1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxadiazole;5-propan-2-yloxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;4-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-2-(trifluoromethyl)pyridine)
CID 158218996
2-bromo-4-tert-butyl-1,3-oxazole;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-2-cyclopropyl-1,3-oxazole;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-methylfuran;7-tert-butyl-2-methyl-3H-imidazo[4,5-c]pyridine;2-tert-butyl-5-methylpyrazine;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1-methylpyrazole;6-tert-butyl-2-methylpyridine-3-carbonitrile;4-tert-butyl-2-methylsulfonylpyrimidine;2-tert-butylpyrazine;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;3-tert-butyl-1H-pyridazin-6-one;2-tert-butylpyridine;4-tert-butylpyrimidine;7-tert-butylpyrrolo[1,2-b]pyridazine;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;7-tert-butylpyrrolo[2,1-f][1,2,4]triazine;2-tert-butylthiophene;2-tert-butyl-6-(trifluoromethyl)pyridine
CID 158270183
CID 159328819
CID 159328819
2-bromo-4-tert-butyl-1,3-oxazole;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-2-cyclopropyl-1,3-oxazole;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-methylfuran;7-tert-butyl-2-methyl-3H-imidazo[4,5-c]pyridine;2-tert-butyl-5-methylpyrazine;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1-methylpyrazole;6-tert-butyl-2-methylpyridine-3-carbonitrile;4-tert-butyl-2-methylsulfonylpyrimidine;2-tert-butylpyrazine;3-tert-butyl-1H-pyridazin-6-one;2-tert-butylpyridine;4-tert-butylpyrimidine;7-tert-butylpyrrolo[1,2-b]pyridazine;7-tert-butylpyrrolo[2,1-f][1,2,4]triazine;2-tert-butylthiophene;2-tert-butyl-6-(trifluoromethyl)pyridine
CID 159368614
4,5-Dimethylpyrimidine;2-ethoxy-6-methylpyridine;2-ethyl-3-methylpyridine;4-methoxy-3-methylpyridazine;3-methyl-2-(2-methylpropyl)pyridine;3-methyl-2-(1-methylpyrazol-4-yl)pyridine;2-(3-methyl-2-pyridinyl)-1,3-oxazole;4-[(3-methyl-2-pyridinyl)oxymethyl]-1,3-thiazole;2-methylpyrimidine;1-methyl-5-(trifluoromethyl)pyrazole
CID 159382977
1-Benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2-oxazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;3-ethyl-5-propan-2-yl-1,2-oxazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine
CID 159443558

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butylfuran;1,4-ditert-butylimidazole;2,5-ditert-butyl-1H-imidazole;2,4-ditert-butyl-1-methylimidazole;4,6-ditert-butyl-3-methylpyridazine;2,4-ditert-butyl-1,3-oxazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;1,5-ditert-butylpyrazole;bis(3,5-ditert-butylpyridazine);bis(2,4-ditert-butylpyridine);2,6-ditert-butylpyridine;3,5-ditert-butylpyridine;2,4-ditert-butylpyrimidine;4,6-ditert-butylpyrimidine;1,3-ditert-butylpyrrole;bis(2,4-ditert-butyl-1,3-thiazole);2,5-ditert-butyl-1,3-thiazole;2,4-ditert-butylthiophene?
The IUPAC name of 2,4-ditert-butylfuran;1,4-ditert-butylimidazole;2,5-ditert-butyl-1H-imidazole;2,4-ditert-butyl-1-methylimidazole;4,6-ditert-butyl-3-methylpyridazine;2,4-ditert-butyl-1,3-oxazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;1,5-ditert-butylpyrazole;bis(3,5-ditert-butylpyridazine);bis(2,4-ditert-butylpyridine);2,6-ditert-butylpyridine;3,5-ditert-butylpyridine;2,4-ditert-butylpyrimidine;4,6-ditert-butylpyrimidine;1,3-ditert-butylpyrrole;bis(2,4-ditert-butyl-1,3-thiazole);2,5-ditert-butyl-1,3-thiazole;2,4-ditert-butylthiophene (CID 159978751) is 2,4-ditert-butylfuran;1,4-ditert-butylimidazole;2,5-ditert-butyl-1H-imidazole;2,4-ditert-butyl-1-methylimidazole;4,6-ditert-butyl-3-methylpyridazine;2,4-ditert-butyl-1,3-oxazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;1,5-ditert-butylpyrazole;bis(3,5-ditert-butylpyridazine);bis(2,4-ditert-butylpyridine);2,6-ditert-butylpyridine;3,5-ditert-butylpyridine;2,4-ditert-butylpyrimidine;4,6-ditert-butylpyrimidine;1,3-ditert-butylpyrrole;bis(2,4-ditert-butyl-1,3-thiazole);2,5-ditert-butyl-1,3-thiazole;2,4-ditert-butylthiophene.
What is the SMILES notation for 2,4-ditert-butylfuran;1,4-ditert-butylimidazole;2,5-ditert-butyl-1H-imidazole;2,4-ditert-butyl-1-methylimidazole;4,6-ditert-butyl-3-methylpyridazine;2,4-ditert-butyl-1,3-oxazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;1,5-ditert-butylpyrazole;bis(3,5-ditert-butylpyridazine);bis(2,4-ditert-butylpyridine);2,6-ditert-butylpyridine;3,5-ditert-butylpyridine;2,4-ditert-butylpyrimidine;4,6-ditert-butylpyrimidine;1,3-ditert-butylpyrrole;bis(2,4-ditert-butyl-1,3-thiazole);2,5-ditert-butyl-1,3-thiazole;2,4-ditert-butylthiophene?
The canonical SMILES for 2,4-ditert-butylfuran;1,4-ditert-butylimidazole;2,5-ditert-butyl-1H-imidazole;2,4-ditert-butyl-1-methylimidazole;4,6-ditert-butyl-3-methylpyridazine;2,4-ditert-butyl-1,3-oxazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;1,5-ditert-butylpyrazole;bis(3,5-ditert-butylpyridazine);bis(2,4-ditert-butylpyridine);2,6-ditert-butylpyridine;3,5-ditert-butylpyridine;2,4-ditert-butylpyrimidine;4,6-ditert-butylpyrimidine;1,3-ditert-butylpyrrole;bis(2,4-ditert-butyl-1,3-thiazole);2,5-ditert-butyl-1,3-thiazole;2,4-ditert-butylthiophene is CC(C)(C)c1cc(C(C)(C)C)ncn1.CC(C)(C)c1cccc(C(C)(C)C)n1.CC(C)(C)c1ccn(C(C)(C)C)c1.CC(C)(C)c1ccn(C(C)(C)C)n1.CC(C)(C)c1ccnc(C(C)(C)C)c1.CC(C)(C)c1ccnc(C(C)(C)C)c1.CC(C)(C)c1ccnc(C(C)(C)C)n1.CC(C)(C)c1ccnn1C(C)(C)C.CC(C)(C)c1cn(C(C)(C)C)cn1.CC(C)(C)c1cnc(C(C)(C)C)[nH]1.CC(C)(C)c1cnc(C(C)(C)C)s1.CC(C)(C)c1cncc(C(C)(C)C)c1.CC(C)(C)c1cnn(C(C)(C)C)c1.CC(C)(C)c1cnnc(C(C)(C)C)c1.CC(C)(C)c1cnnc(C(C)(C)C)c1.CC(C)(C)c1coc(C(C)(C)C)c1.CC(C)(C)c1coc(C(C)(C)C)n1.CC(C)(C)c1csc(C(C)(C)C)c1.CC(C)(C)c1csc(C(C)(C)C)n1.CC(C)(C)c1csc(C(C)(C)C)n1.Cc1nnc(C(C)(C)C)cc1C(C)(C)C.Cn1cc(C(C)(C)C)nc1C(C)(C)C.
What is the InChIKey of 2,4-ditert-butylfuran;1,4-ditert-butylimidazole;2,5-ditert-butyl-1H-imidazole;2,4-ditert-butyl-1-methylimidazole;4,6-ditert-butyl-3-methylpyridazine;2,4-ditert-butyl-1,3-oxazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;1,5-ditert-butylpyrazole;bis(3,5-ditert-butylpyridazine);bis(2,4-ditert-butylpyridine);2,6-ditert-butylpyridine;3,5-ditert-butylpyridine;2,4-ditert-butylpyrimidine;4,6-ditert-butylpyrimidine;1,3-ditert-butylpyrrole;bis(2,4-ditert-butyl-1,3-thiazole);2,5-ditert-butyl-1,3-thiazole;2,4-ditert-butylthiophene?
The InChIKey is OFMLMWZTOQDUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2.4C13H21N.C12H22N2.4C12H20N2.C12H21N.C12H20O.C12H20S.5C11H20N2.C11H19NO.3C11H19NS/c1-9-10(12(2,3)4)8-11(15-14-9)13(5,6)7;1-12(2,3)10-7-11(9-14-8-10)13(4,5)6;2*1-12(2,3)10-7-8-14-11(9-10)13(4,5)6;1-12(2,3)10-8-7-9-11(14-10)13(4,5)6;1-11(2,3)9-8-14(7)10(13-9)12(4,5)6;1-11(2,3)9-7-10(12(4,5)6)14-8-13-9;2*1-11(2,3)9-7-10(12(4,5)6)14-13-8-9;1-11(2,3)9-7-8-13-10(14-9)12(4,5)6;1-11(2,3)10-7-8-13(9-10)12(4,5)6;2*1-11(2,3)9-7-10(13-8-9)12(4,5)6;1-10(2,3)9-7-13(8-12-9)11(4,5)6;1-10(2,3)9-7-12-13(8-9)11(4,5)6;1-10(2,3)8-7-12-9(13-8)11(4,5)6;1-10(2,3)9-7-8-13(12-9)11(4,5)6;1-10(2,3)9-7-8-12-13(9)11(4,5)6;3*1-10(2,3)8-7-13-9(12-8)11(4,5)6;1-10(2,3)8-7-12-9(13-8)11(4,5)6/h8H,1-7H3;4*7-9H,1-6H3;8H,1-7H3;4*7-8H,1-6H3;7-9H,1-6H3;4*7-8H,1-6H3;7H,1-6H3,(H,12,13);2*7-8H,1-6H3;4*7H,1-6H3.
What are the key properties of 2,4-ditert-butylfuran;1,4-ditert-butylimidazole;2,5-ditert-butyl-1H-imidazole;2,4-ditert-butyl-1-methylimidazole;4,6-ditert-butyl-3-methylpyridazine;2,4-ditert-butyl-1,3-oxazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;1,5-ditert-butylpyrazole;bis(3,5-ditert-butylpyridazine);bis(2,4-ditert-butylpyridine);2,6-ditert-butylpyridine;3,5-ditert-butylpyridine;2,4-ditert-butylpyrimidine;4,6-ditert-butylpyrimidine;1,3-ditert-butylpyrrole;bis(2,4-ditert-butyl-1,3-thiazole);2,5-ditert-butyl-1,3-thiazole;2,4-ditert-butylthiophene?
2,4-ditert-butylfuran;1,4-ditert-butylimidazole;2,5-ditert-butyl-1H-imidazole;2,4-ditert-butyl-1-methylimidazole;4,6-ditert-butyl-3-methylpyridazine;2,4-ditert-butyl-1,3-oxazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;1,5-ditert-butylpyrazole;bis(3,5-ditert-butylpyridazine);bis(2,4-ditert-butylpyridine);2,6-ditert-butylpyridine;3,5-ditert-butylpyridine;2,4-ditert-butylpyrimidine;4,6-ditert-butylpyrimidine;1,3-ditert-butylpyrrole;bis(2,4-ditert-butyl-1,3-thiazole);2,5-ditert-butyl-1,3-thiazole;2,4-ditert-butylthiophene has a molecular weight of 4165.90 g/mol, XLogP of 74.38, 0 rotatable bonds, 1 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butylfuran;1,4-ditert-butylimidazole;2,5-ditert-butyl-1H-imidazole;2,4-ditert-butyl-1-methylimidazole;4,6-ditert-butyl-3-methylpyridazine;2,4-ditert-butyl-1,3-oxazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;1,5-ditert-butylpyrazole;bis(3,5-ditert-butylpyridazine);bis(2,4-ditert-butylpyridine);2,6-ditert-butylpyridine;3,5-ditert-butylpyridine;2,4-ditert-butylpyrimidine;4,6-ditert-butylpyrimidine;1,3-ditert-butylpyrrole;bis(2,4-ditert-butyl-1,3-thiazole);2,5-ditert-butyl-1,3-thiazole;2,4-ditert-butylthiophene is sourced from PubChem (CID 159978751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).