tert-butylbenzene;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;1-(5-tert-butyl-2-fluorophenyl)piperazine;5-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methylphenyl)piperidine;5-tert-butyl-1-methylpyrazole;1-(4-tert-butylphenyl)-4-methylpiperazine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;4-(4-tert-butylphenyl)piperidine;1-[1-(4-tert-butylphenyl)piperidin-4-yl]piperazine;2-tert-butylpyridine;3-tert-butylpyridine;ethane

C169H255FN18O3 — CID 160731199

IUPACtert-butylbenzene;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;1-(5-tert-butyl-2-fluorophenyl)piperazine;5-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methylphenyl)piperidine;5-tert-butyl-1-methylpyrazole;1-(4-tert-butylphenyl)-4-methylpiperazine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;4-(4-tert-butylphenyl)piperidine;1-[1-(4-tert-butylphenyl)piperidin-4-yl]piperazine;2-tert-butylpyridine;3-tert-butylpyridine;ethane
SMILESCC.CC.CC(=O)N1CCN(c2ccc(C(C)(C)C)cc2)CC1.CC(C)(C)c1ccc(C2CCNCC2)cc1.CC(C)(C)c1ccc(F)c(N2CCNCC2)c1.CC(C)(C)c1ccc(N2CCC(N3CCNCC3)CC2)cc1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2occc2c1.CC(C)(C)c1ccc2ocnc2c1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CN1CCN(c2ccc(C(C)(C)C)cc2)CC1.Cc1cc(C(C)(C)C)ccc1C1CCNCC1.Cn1nccc1C(C)(C)C
InChIInChI=1S/C19H31N3.C16H24N2O.C16H25N.C15H24N2.C15H23N.C14H21FN2.C12H14O.C11H14N2.C11H13NO.C10H14.2C9H13N.C8H14N2.2C2H6/c1-19(2,3)16-4-6-17(7-5-16)21-12-8-18(9-13-21)22-14-10-20-11-15-22;1-13(19)17-9-11-18(12-10-17)15-7-5-14(6-8-15)16(2,3)4;1-12-11-14(16(2,3)4)5-6-15(12)13-7-9-17-10-8-13;1-15(2,3)13-5-7-14(8-6-13)17-11-9-16(4)10-12-17;1-15(2,3)14-6-4-12(5-7-14)13-8-10-16-11-9-13;1-14(2,3)11-4-5-12(15)13(10-11)17-8-6-16-7-9-17;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-5-6-9-10(7)4;2*1-2/h4-7,18,20H,8-15H2,1-3H3;5-8H,9-12H2,1-4H3;5-6,11,13,17H,7-10H2,1-4H3;5-8H,9-12H2,1-4H3;4-7,13,16H,8-11H2,1-3H3;4-5,10,16H,6-9H2,1-3H3;4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4-7H,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3;5-6H,1-4H3;2*1-2H3
InChIKeyRUJATDHEYDLKOA-UHFFFAOYSA-N
MW2606.02 g/mol
LogP39.22
Rot. Bonds7

About tert-butylbenzene;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;1-(5-tert-butyl-2-fluorophenyl)piperazine;5-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methylphenyl)piperidine;5-tert-butyl-1-methylpyrazole;1-(4-tert-butylphenyl)-4-methylpiperazine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;4-(4-tert-butylphenyl)piperidine;1-[1-(4-tert-butylphenyl)piperidin-4-yl]piperazine;2-tert-butylpyridine;3-tert-butylpyridine;ethane

tert-butylbenzene;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;1-(5-tert-butyl-2-fluorophenyl)piperazine;5-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methylphenyl)piperidine;5-tert-butyl-1-methylpyrazole;1-(4-tert-butylphenyl)-4-methylpiperazine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;4-(4-tert-butylphenyl)piperidine;1-[1-(4-tert-butylphenyl)piperidin-4-yl]piperazine;2-tert-butylpyridine;3-tert-butylpyridine;ethane (PubChem CID 160731199) has the molecular formula C169H255FN18O3 and a molecular weight of 2606.02 g/mol. Its IUPAC name is tert-butylbenzene;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;1-(5-tert-butyl-2-fluorophenyl)piperazine;5-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methylphenyl)piperidine;5-tert-butyl-1-methylpyrazole;1-(4-tert-butylphenyl)-4-methylpiperazine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;4-(4-tert-butylphenyl)piperidine;1-[1-(4-tert-butylphenyl)piperidin-4-yl]piperazine;2-tert-butylpyridine;3-tert-butylpyridine;ethane.

Molecular Properties

Compound Nametert-butylbenzene;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;1-(5-tert-butyl-2-fluorophenyl)piperazine;5-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methylphenyl)piperidine;5-tert-butyl-1-methylpyrazole;1-(4-tert-butylphenyl)-4-methylpiperazine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;4-(4-tert-butylphenyl)piperidine;1-[1-(4-tert-butylphenyl)piperidin-4-yl]piperazine;2-tert-butylpyridine;3-tert-butylpyridine;ethane
PubChem CID160731199
Molecular FormulaC169H255FN18O3
Molecular Weight2606.02 g/mol
Exact Mass2604.03
IUPAC Nametert-butylbenzene;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;1-(5-tert-butyl-2-fluorophenyl)piperazine;5-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methylphenyl)piperidine;5-tert-butyl-1-methylpyrazole;1-(4-tert-butylphenyl)-4-methylpiperazine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;4-(4-tert-butylphenyl)piperidine;1-[1-(4-tert-butylphenyl)piperidin-4-yl]piperazine;2-tert-butylpyridine;3-tert-butylpyridine;ethane
SMILESCC.CC.CC(=O)N1CCN(c2ccc(C(C)(C)C)cc2)CC1.CC(C)(C)c1ccc(C2CCNCC2)cc1.CC(C)(C)c1ccc(F)c(N2CCNCC2)c1.CC(C)(C)c1ccc(N2CCC(N3CCNCC3)CC2)cc1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2occc2c1.CC(C)(C)c1ccc2ocnc2c1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CN1CCN(c2ccc(C(C)(C)C)cc2)CC1.Cc1cc(C(C)(C)C)ccc1C1CCNCC1.Cn1nccc1C(C)(C)C
InChIInChI=1S/C19H31N3.C16H24N2O.C16H25N.C15H24N2.C15H23N.C14H21FN2.C12H14O.C11H14N2.C11H13NO.C10H14.2C9H13N.C8H14N2.2C2H6/c1-19(2,3)16-4-6-17(7-5-16)21-12-8-18(9-13-21)22-14-10-20-11-15-22;1-13(19)17-9-11-18(12-10-17)15-7-5-14(6-8-15)16(2,3)4;1-12-11-14(16(2,3)4)5-6-15(12)13-7-9-17-10-8-13;1-15(2,3)13-5-7-14(8-6-13)17-11-9-16(4)10-12-17;1-15(2,3)14-6-4-12(5-7-14)13-8-10-16-11-9-13;1-14(2,3)11-4-5-12(15)13(10-11)17-8-6-16-7-9-17;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-5-6-9-10(7)4;2*1-2/h4-7,18,20H,8-15H2,1-3H3;5-8H,9-12H2,1-4H3;5-6,11,13,17H,7-10H2,1-4H3;5-8H,9-12H2,1-4H3;4-7,13,16H,8-11H2,1-3H3;4-5,10,16H,6-9H2,1-3H3;4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4-7H,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3;5-6H,1-4H3;2*1-2H3
InChIKeyRUJATDHEYDLKOA-UHFFFAOYSA-N
XLogP39.22
TPSA199.32 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds7
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002606.02
LogP ≤ 539.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Analyze tert-butylbenzene;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;1-(5-tert-butyl-2-fluorophenyl)piperazine;5-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methylphenyl)piperidine;5-tert-butyl-1-methylpyrazole;1-(4-tert-butylphenyl)-4-methylpiperazine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;4-(4-tert-butylphenyl)piperidine;1-[1-(4-tert-butylphenyl)piperidin-4-yl]piperazine;2-tert-butylpyridine;3-tert-butylpyridine;ethane with MolForge

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Related Compounds

1-[[5-[5-[[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]carbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1,3-benzoxazol-2-yl]methyl]-N-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-3-(1-methylindazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 149591754
1-(3,3-dimethylbut-1-ynyl)cyclohexene;4-(3,3-dimethylbut-1-ynyl)-1,2-difluorobenzene;4-(3,3-dimethylbut-1-ynyl)-1-fluoro-2-methylbenzene;1-(3,3-dimethylbut-1-ynyl)-3-(trifluoromethyl)benzene;6-(5,5-dimethylhex-2-ynyl)-1,3-benzoxazole;7-(5,5-dimethylhex-2-ynyl)cinnoline;5-(5,5-dimethylhex-2-ynyl)-2H-isoindole;4-(5,5-dimethylhex-2-ynyl)pyridazine;2-(5,5-dimethylhex-2-ynyl)pyridine;3-(5,5-dimethylhex-2-ynyl)pyridine;4-(5,5-dimethylhex-2-ynyl)pyridine;6-(5,5-dimethylhex-2-ynyl)quinoline;6-(5,5-dimethylhex-2-ynyl)quinoxaline;4-(4,4-dimethylpent-2-ynoxy)piperidine;1-(4,4-dimethylpent-2-ynyl)piperazine
CID 157187518
tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;5-tert-butyl-6-chloro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methylphenyl)piperidine;5-tert-butyl-1-methylpyrazole;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;1-[1-(4-tert-butylphenyl)piperidin-4-yl]piperazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;ethane
CID 157290797
5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-3,4-dihydro-2H-chromene;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-2,2-dimethyl-1,3-benzodioxole;5-tert-butyl-1H-indazole;5-tert-butyl-6-methyl-1,3-benzodioxole;5-tert-butyl-1-methylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;3,3-dimethylbutan-2-ylbenzene;3-(3,3-dimethylbutan-2-yl)oxane;3-(2,2-dimethylpropyl)pyridine;methane
CID 157373019
1-cyclopropyl-4-propan-2-ylpiperidine;1-(difluoromethyl)-5-propan-2-ylindazole;1-(difluoromethyl)-6-propan-2-ylindazole;1,1-difluoro-4-propan-2-ylcyclohexane;methane;1-methyl-4-propan-2-ylindazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;1-methyl-7-propan-2-ylindazole;4-methyl-4-propan-2-yloxane;5-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1H-indazole
CID 157418117
tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;5-tert-butyl-6-chloro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;1-(5-tert-butyl-2-fluorophenyl)piperazine;5-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methylphenyl)piperidine;5-tert-butyl-1-methylpyrazole;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;1-[1-(4-tert-butylphenyl)piperidin-4-yl]piperazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;ethane
CID 157571356
5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-3,4-dihydro-2H-chromene;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-2,2-dimethyl-1,3-benzodioxole;5-tert-butyl-1H-indazole;5-tert-butyl-6-methyl-1,3-benzodioxole;5-tert-butyl-1-methylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 157647756
(E)-8-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]oct-3-en-2-one;(E)-N-methyl-7-[6-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]pyridazin-3-yl]oxyhept-2-enamide;(E)-N-methyl-7-[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyrazin-2-yl]oxyhept-2-enamide;N-methyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]heptanamide;(E)-N-methyl-7-[[6-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-3-pyridinyl]oxy]hept-2-enamide;1-[2-[4-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]ethyl]pyrrolidin-2-one;(E)-8-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]oct-3-en-2-one
CID 158067410
bis(tert-butylbenzene);5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-2,2-dimethyl-1,3-benzodioxole;5-tert-butyl-1H-indazole;5-tert-butyl-6-methyl-1,3-benzodioxole;4-(4-tert-butyl-2-methylphenyl)piperidine;5-tert-butyl-1-methylpyrazole;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;1-[1-(4-tert-butylphenyl)piperidin-4-yl]piperazine;2-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;ethane;methane
CID 158209522
1-(3,3-dimethylbut-1-ynyl)cyclohexene;4-(3,3-dimethylbut-1-ynyl)-1,2-difluorobenzene;4-(3,3-dimethylbut-1-ynyl)-1-fluoro-2-methylbenzene;1-(3,3-dimethylbut-1-ynyl)-3-(trifluoromethyl)benzene;6-(5,5-dimethylhex-2-ynyl)-1,3-benzoxazole;7-(5,5-dimethylhex-2-ynyl)cinnoline;5-(5,5-dimethylhex-2-ynyl)-2H-isoindole;4-(5,5-dimethylhex-2-ynyl)pyridazine;4-(5,5-dimethylhex-2-ynyl)pyridine;6-(5,5-dimethylhex-2-ynyl)quinoline;6-(5,5-dimethylhex-2-ynyl)quinoxaline;4-(4,4-dimethylpent-2-ynoxy)piperidine;1-(4,4-dimethylpent-2-ynyl)piperazine
CID 158224255
tert-butylbenzene;2-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-2,3-difluorobenzene;1-tert-butyl-2,4-difluorobenzene;1-tert-butyl-3,3-difluoropyrrolidine;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-3,4-dihydro-2H-pyran;1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;3-tert-butyl-2-methyl-1-benzofuran;5-tert-butyl-2-methyl-1,3-dihydroisoindole;2-tert-butyl-4-methylfuran;5-tert-butyl-1-methylindazole;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;4-tert-butylpyridazine;3-tert-butyl-1H-pyrrole;3-tert-butylquinoline;5-tert-butyl-4-(trifluoromethyl)-1,3-oxazole
CID 158547742
tert-butylbenzene;2-tert-butyl-1-benzofuran;3-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzoxazole;1-tert-butyl-3-chlorobenzene;1-tert-butyl-2,3-difluorobenzene;1-tert-butyl-2,4-difluorobenzene;1-tert-butyl-3,3-difluoropyrrolidine;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-3,4-dihydro-2H-pyran;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;3-tert-butyl-2-fluoropyridine;2-tert-butyl-1H-indene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-4-methylbenzene;3-tert-butyl-2-methyl-1-benzofuran;5-tert-butyl-1-methylpyrazole;bis(5-tert-butyl-2-methylpyridine);4-tert-butylpyridazine;3-tert-butyl-1H-pyrrole
CID 158762756

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;1-(5-tert-butyl-2-fluorophenyl)piperazine;5-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methylphenyl)piperidine;5-tert-butyl-1-methylpyrazole;1-(4-tert-butylphenyl)-4-methylpiperazine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;4-(4-tert-butylphenyl)piperidine;1-[1-(4-tert-butylphenyl)piperidin-4-yl]piperazine;2-tert-butylpyridine;3-tert-butylpyridine;ethane?
The IUPAC name of tert-butylbenzene;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;1-(5-tert-butyl-2-fluorophenyl)piperazine;5-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methylphenyl)piperidine;5-tert-butyl-1-methylpyrazole;1-(4-tert-butylphenyl)-4-methylpiperazine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;4-(4-tert-butylphenyl)piperidine;1-[1-(4-tert-butylphenyl)piperidin-4-yl]piperazine;2-tert-butylpyridine;3-tert-butylpyridine;ethane (CID 160731199) is tert-butylbenzene;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;1-(5-tert-butyl-2-fluorophenyl)piperazine;5-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methylphenyl)piperidine;5-tert-butyl-1-methylpyrazole;1-(4-tert-butylphenyl)-4-methylpiperazine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;4-(4-tert-butylphenyl)piperidine;1-[1-(4-tert-butylphenyl)piperidin-4-yl]piperazine;2-tert-butylpyridine;3-tert-butylpyridine;ethane.
What is the SMILES notation for tert-butylbenzene;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;1-(5-tert-butyl-2-fluorophenyl)piperazine;5-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methylphenyl)piperidine;5-tert-butyl-1-methylpyrazole;1-(4-tert-butylphenyl)-4-methylpiperazine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;4-(4-tert-butylphenyl)piperidine;1-[1-(4-tert-butylphenyl)piperidin-4-yl]piperazine;2-tert-butylpyridine;3-tert-butylpyridine;ethane?
The canonical SMILES for tert-butylbenzene;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;1-(5-tert-butyl-2-fluorophenyl)piperazine;5-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methylphenyl)piperidine;5-tert-butyl-1-methylpyrazole;1-(4-tert-butylphenyl)-4-methylpiperazine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;4-(4-tert-butylphenyl)piperidine;1-[1-(4-tert-butylphenyl)piperidin-4-yl]piperazine;2-tert-butylpyridine;3-tert-butylpyridine;ethane is CC.CC.CC(=O)N1CCN(c2ccc(C(C)(C)C)cc2)CC1.CC(C)(C)c1ccc(C2CCNCC2)cc1.CC(C)(C)c1ccc(F)c(N2CCNCC2)c1.CC(C)(C)c1ccc(N2CCC(N3CCNCC3)CC2)cc1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2occc2c1.CC(C)(C)c1ccc2ocnc2c1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CN1CCN(c2ccc(C(C)(C)C)cc2)CC1.Cc1cc(C(C)(C)C)ccc1C1CCNCC1.Cn1nccc1C(C)(C)C.
What is the InChIKey of tert-butylbenzene;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;1-(5-tert-butyl-2-fluorophenyl)piperazine;5-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methylphenyl)piperidine;5-tert-butyl-1-methylpyrazole;1-(4-tert-butylphenyl)-4-methylpiperazine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;4-(4-tert-butylphenyl)piperidine;1-[1-(4-tert-butylphenyl)piperidin-4-yl]piperazine;2-tert-butylpyridine;3-tert-butylpyridine;ethane?
The InChIKey is RUJATDHEYDLKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3.C16H24N2O.C16H25N.C15H24N2.C15H23N.C14H21FN2.C12H14O.C11H14N2.C11H13NO.C10H14.2C9H13N.C8H14N2.2C2H6/c1-19(2,3)16-4-6-17(7-5-16)21-12-8-18(9-13-21)22-14-10-20-11-15-22;1-13(19)17-9-11-18(12-10-17)15-7-5-14(6-8-15)16(2,3)4;1-12-11-14(16(2,3)4)5-6-15(12)13-7-9-17-10-8-13;1-15(2,3)13-5-7-14(8-6-13)17-11-9-16(4)10-12-17;1-15(2,3)14-6-4-12(5-7-14)13-8-10-16-11-9-13;1-14(2,3)11-4-5-12(15)13(10-11)17-8-6-16-7-9-17;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-5-6-9-10(7)4;2*1-2/h4-7,18,20H,8-15H2,1-3H3;5-8H,9-12H2,1-4H3;5-6,11,13,17H,7-10H2,1-4H3;5-8H,9-12H2,1-4H3;4-7,13,16H,8-11H2,1-3H3;4-5,10,16H,6-9H2,1-3H3;4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4-7H,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3;5-6H,1-4H3;2*1-2H3.
What are the key properties of tert-butylbenzene;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;1-(5-tert-butyl-2-fluorophenyl)piperazine;5-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methylphenyl)piperidine;5-tert-butyl-1-methylpyrazole;1-(4-tert-butylphenyl)-4-methylpiperazine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;4-(4-tert-butylphenyl)piperidine;1-[1-(4-tert-butylphenyl)piperidin-4-yl]piperazine;2-tert-butylpyridine;3-tert-butylpyridine;ethane?
tert-butylbenzene;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;1-(5-tert-butyl-2-fluorophenyl)piperazine;5-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methylphenyl)piperidine;5-tert-butyl-1-methylpyrazole;1-(4-tert-butylphenyl)-4-methylpiperazine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;4-(4-tert-butylphenyl)piperidine;1-[1-(4-tert-butylphenyl)piperidin-4-yl]piperazine;2-tert-butylpyridine;3-tert-butylpyridine;ethane has a molecular weight of 2606.02 g/mol, XLogP of 39.22, 7 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;1-(5-tert-butyl-2-fluorophenyl)piperazine;5-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methylphenyl)piperidine;5-tert-butyl-1-methylpyrazole;1-(4-tert-butylphenyl)-4-methylpiperazine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;4-(4-tert-butylphenyl)piperidine;1-[1-(4-tert-butylphenyl)piperidin-4-yl]piperazine;2-tert-butylpyridine;3-tert-butylpyridine;ethane is sourced from PubChem (CID 160731199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).