5-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;1-tert-butyl-4-(difluoromethoxy)benzene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-3,4-dihydro-2H-chromene;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;6-tert-butyl-2,2-dimethyl-3,4-dihydrochromene;1-tert-butyl-4-methoxybenzene;6-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine

C149H200F5N7O11S — CID 158852118

IUPAC5-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;1-tert-butyl-4-(difluoromethoxy)benzene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-3,4-dihydro-2H-chromene;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;6-tert-butyl-2,2-dimethyl-3,4-dihydrochromene;1-tert-butyl-4-methoxybenzene;6-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1ccc(C(F)(F)F)nc1.CC(C)(C)c1ccc(OC(F)F)cc1.CC(C)(C)c1ccc2c(c1)CCCO2.CC(C)(C)c1ccc2c(c1)OCCO2.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1ccc2occc2c1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cnc2c(c1)OCCO2.CC1(C)CCc2cc(C(C)(C)C)ccc2O1.CN1CCOc2ccc(C(C)(C)C)cc21.COc1ccc(C(C)(C)C)cc1.Cc1nc2ccc(C(C)(C)C)cc2o1
InChIInChI=1S/C15H22O.C13H19NO.C13H18O.C12H15NO.C12H16O2.C12H14O.C11H14F2O.C11H15NO2.C11H13NS.C11H16O.C10H12F3N.2C9H13N/c1-14(2,3)12-6-7-13-11(10-12)8-9-15(4,5)16-13;1-13(2,3)10-5-6-12-11(9-10)14(4)7-8-15-12;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-8-13-10-6-5-9(12(2,3)4)7-11(10)14-8;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-11(2,3)8-4-6-9(7-5-8)14-10(12)13;1-11(2,3)8-6-9-10(12-7-8)14-5-4-13-9;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)9-5-7-10(12-4)8-6-9;1-9(2,3)7-4-5-8(14-6-7)10(11,12)13;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8/h6-7,10H,8-9H2,1-5H3;5-6,9H,7-8H2,1-4H3;6-7,9H,4-5,8H2,1-3H3;5-7H,1-4H3;4-5,8H,6-7H2,1-3H3;4-8H,1-3H3;4-7,10H,1-3H3;6-7H,4-5H2,1-3H3;4-7H,1-3H3;5-8H,1-4H3;4-6H,1-3H3;2*4-7H,1-3H3
InChIKeyIZOZBEYHLKILBK-UHFFFAOYSA-N
MW2392.33 g/mol
LogP40.61
Rot. Bonds3

About 5-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;1-tert-butyl-4-(difluoromethoxy)benzene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-3,4-dihydro-2H-chromene;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;6-tert-butyl-2,2-dimethyl-3,4-dihydrochromene;1-tert-butyl-4-methoxybenzene;6-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine

5-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;1-tert-butyl-4-(difluoromethoxy)benzene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-3,4-dihydro-2H-chromene;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;6-tert-butyl-2,2-dimethyl-3,4-dihydrochromene;1-tert-butyl-4-methoxybenzene;6-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine (PubChem CID 158852118) has the molecular formula C149H200F5N7O11S and a molecular weight of 2392.33 g/mol. Its IUPAC name is 5-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;1-tert-butyl-4-(difluoromethoxy)benzene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-3,4-dihydro-2H-chromene;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;6-tert-butyl-2,2-dimethyl-3,4-dihydrochromene;1-tert-butyl-4-methoxybenzene;6-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;1-tert-butyl-4-(difluoromethoxy)benzene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-3,4-dihydro-2H-chromene;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;6-tert-butyl-2,2-dimethyl-3,4-dihydrochromene;1-tert-butyl-4-methoxybenzene;6-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine
PubChem CID158852118
Molecular FormulaC149H200F5N7O11S
Molecular Weight2392.33 g/mol
Exact Mass2390.49
IUPAC Name5-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;1-tert-butyl-4-(difluoromethoxy)benzene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-3,4-dihydro-2H-chromene;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;6-tert-butyl-2,2-dimethyl-3,4-dihydrochromene;1-tert-butyl-4-methoxybenzene;6-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1ccc(C(F)(F)F)nc1.CC(C)(C)c1ccc(OC(F)F)cc1.CC(C)(C)c1ccc2c(c1)CCCO2.CC(C)(C)c1ccc2c(c1)OCCO2.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1ccc2occc2c1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cnc2c(c1)OCCO2.CC1(C)CCc2cc(C(C)(C)C)ccc2O1.CN1CCOc2ccc(C(C)(C)C)cc21.COc1ccc(C(C)(C)C)cc1.Cc1nc2ccc(C(C)(C)C)cc2o1
InChIInChI=1S/C15H22O.C13H19NO.C13H18O.C12H15NO.C12H16O2.C12H14O.C11H14F2O.C11H15NO2.C11H13NS.C11H16O.C10H12F3N.2C9H13N/c1-14(2,3)12-6-7-13-11(10-12)8-9-15(4,5)16-13;1-13(2,3)10-5-6-12-11(9-10)14(4)7-8-15-12;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-8-13-10-6-5-9(12(2,3)4)7-11(10)14-8;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-11(2,3)8-4-6-9(7-5-8)14-10(12)13;1-11(2,3)8-6-9-10(12-7-8)14-5-4-13-9;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)9-5-7-10(12-4)8-6-9;1-9(2,3)7-4-5-8(14-6-7)10(11,12)13;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8/h6-7,10H,8-9H2,1-5H3;5-6,9H,7-8H2,1-4H3;6-7,9H,4-5,8H2,1-3H3;5-7H,1-4H3;4-5,8H,6-7H2,1-3H3;4-8H,1-3H3;4-7,10H,1-3H3;6-7H,4-5H2,1-3H3;4-7H,1-3H3;5-8H,1-4H3;4-6H,1-3H3;2*4-7H,1-3H3
InChIKeyIZOZBEYHLKILBK-UHFFFAOYSA-N
XLogP40.61
TPSA189.93 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds3
Heavy Atoms173
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002392.33
LogP ≤ 540.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 5-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;1-tert-butyl-4-(difluoromethoxy)benzene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-3,4-dihydro-2H-chromene;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;6-tert-butyl-2,2-dimethyl-3,4-dihydrochromene;1-tert-butyl-4-methoxybenzene;6-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine with MolForge

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Related Compounds

2-[7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,4-dimethylthieno[2,3-c]pyridin-3-yl]-1,3-oxazole;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-(2-methyl-1,3-thiazol-5-yl)-2-propan-2-ylthieno[2,3-c]pyridine;5-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)quinolin-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzoxazole;6-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)quinolin-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzoxazole;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)
CID 157772432
2-[2-(4-Tert-butyl-1-methylnaphthalen-2-yl)-1,5-dimethylpyridin-1-ium-4-yl]-1,3-benzothiazole;2-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1,5-dimethylpyridin-1-ium-4-yl]-1,3-benzoxazole;6-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyridin-1-ium-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzothiazole
CID 159630054
5-[2-(4-Tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyridin-1-ium-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzothiazole;5-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyridin-1-ium-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzoxazole;6-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyridin-1-ium-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzoxazole
CID 162208146
1,4-difluoro-2-methyl-5-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzoxazole;N-methyl-1-(4-propan-2-ylphenyl)methanimine;5-methyl-2-propan-2-ylpyridine;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzofuran;tris(6-propan-2-yl-1-benzofuran);6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;N-(4-propan-2-ylphenyl)acetamide
CID 157252887
6-Tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;2-tert-butyl-4-chloropyridine;2-tert-butyl-5-chloropyridine;1-tert-butyl-2,3-difluorobenzene;1-tert-butyl-3,5-difluorobenzene;2-tert-butyl-1,4-difluorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-fluorobenzene;3-tert-butyl-5-fluorobenzonitrile;2-tert-butyl-3-fluoropyridine;2-tert-butyl-4-fluoropyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-5-fluoropyridine;4-tert-butyl-3-fluoropyridine;1-tert-butyl-2-isocyanobenzene;3-tert-butylisoquinoline;1-tert-butyl-4-methoxybenzene;2-tert-butyl-5-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-(4-tert-butylphenyl)-4,5-dihydro-1,3-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine
CID 157375328
Tert-butylbenzene;bis(6-tert-butyl-1,3-benzothiazole);5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;bis(1-tert-butyl-2-fluorobenzene);1-tert-butyl-2-fluoro-3-methylbenzene;bis(1-tert-butyl-3-fluoro-5-methylbenzene);2-tert-butyl-1-fluoro-4-methylbenzene;4-tert-butyl-2-fluoro-1-methylbenzene;2-tert-butyl-3-fluoropyridine;1-tert-butyl-2-isocyanobenzene;3-tert-butylisoquinoline;1-tert-butyl-4-methoxybenzene;1-tert-butyl-4-methylbenzene;bis(2-tert-butyl-4-methylpyridine);bis(2-tert-butyl-5-methylpyridine);2-tert-butylpyridine;3-tert-butylpyridine
CID 158003281
2-[3,5-Bis(3,5-dipyridin-3-ylphenyl)phenyl]-1,3-benzoxazole;2-[3-[3,5-di(isoquinolin-4-yl)phenyl]-5-(3,5-dipyridin-3-ylphenyl)phenyl]-1,3-benzothiazole;2-[3-[3,5-di(isoquinolin-4-yl)phenyl]-5-(3,5-dipyridin-3-ylphenyl)phenyl]-1,3-benzoxazole
CID 158410151
4,6-Di(propan-2-yl)-1-benzofuran;bis(4,7-di(propan-2-yl)-1-benzofuran);5,7-di(propan-2-yl)-1-benzofuran;4,6-di(propan-2-yl)-1,3-benzothiazole;4,6-di(propan-2-yl)-1-benzothiophene;bis(4,7-di(propan-2-yl)-1-benzothiophene);4,6-di(propan-2-yl)-1,3-benzoxazole;4,7-di(propan-2-yl)-1,3-benzoxazole;6,8-di(propan-2-yl)quinoline;7,8-di(propan-2-yl)quinoline
CID 158641750
CID 158869071
CID 158869071
2-(1,3-benzothiazol-6-yl)-1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]ethanone;2-(1,3-benzoxazol-5-yl)-1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(2,3-dihydro-1H-inden-5-yl)ethanone;3-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide;3-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-N-propan-2-ylbenzamide;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(pyridin-4-ylmethyl)phenyl]ethanone
CID 159720866
6-Tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,5-difluorobenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-2-fluoro-3-methylbenzene;1-tert-butyl-3-fluoro-5-methylbenzene;2-tert-butyl-1-fluoro-4-methylbenzene;bis(4-tert-butyl-2-fluoro-1-methylbenzene);1-tert-butyl-2-isocyanobenzene;3-tert-butylisoquinoline;1-tert-butyl-4-methoxybenzene;1-tert-butyl-4-methylbenzene;bis(2-tert-butyl-4-methylpyridine);2-tert-butyl-5-methylpyridine;3-tert-butylpyridine
CID 160143326
1,4-difluoro-2-methyl-5-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzoxazole;N-methyl-1-(4-propan-2-ylphenyl)methanimine;5-methyl-2-propan-2-ylpyridine;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzofuran;tris(6-propan-2-yl-1-benzofuran);6-propan-2-yl-1,3-benzothiazole;1-(5-propan-2-yl-1,3-benzoxazol-2-yl)propan-2-one;5-propan-2-yl-2,3-dihydro-1-benzofuran;N-(4-propan-2-ylphenyl)acetamide
CID 161009218

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;1-tert-butyl-4-(difluoromethoxy)benzene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-3,4-dihydro-2H-chromene;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;6-tert-butyl-2,2-dimethyl-3,4-dihydrochromene;1-tert-butyl-4-methoxybenzene;6-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;1-tert-butyl-4-(difluoromethoxy)benzene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-3,4-dihydro-2H-chromene;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;6-tert-butyl-2,2-dimethyl-3,4-dihydrochromene;1-tert-butyl-4-methoxybenzene;6-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine (CID 158852118) is 5-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;1-tert-butyl-4-(difluoromethoxy)benzene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-3,4-dihydro-2H-chromene;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;6-tert-butyl-2,2-dimethyl-3,4-dihydrochromene;1-tert-butyl-4-methoxybenzene;6-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;1-tert-butyl-4-(difluoromethoxy)benzene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-3,4-dihydro-2H-chromene;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;6-tert-butyl-2,2-dimethyl-3,4-dihydrochromene;1-tert-butyl-4-methoxybenzene;6-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;1-tert-butyl-4-(difluoromethoxy)benzene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-3,4-dihydro-2H-chromene;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;6-tert-butyl-2,2-dimethyl-3,4-dihydrochromene;1-tert-butyl-4-methoxybenzene;6-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine is CC(C)(C)c1ccc(C(F)(F)F)nc1.CC(C)(C)c1ccc(OC(F)F)cc1.CC(C)(C)c1ccc2c(c1)CCCO2.CC(C)(C)c1ccc2c(c1)OCCO2.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1ccc2occc2c1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cnc2c(c1)OCCO2.CC1(C)CCc2cc(C(C)(C)C)ccc2O1.CN1CCOc2ccc(C(C)(C)C)cc21.COc1ccc(C(C)(C)C)cc1.Cc1nc2ccc(C(C)(C)C)cc2o1.
What is the InChIKey of 5-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;1-tert-butyl-4-(difluoromethoxy)benzene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-3,4-dihydro-2H-chromene;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;6-tert-butyl-2,2-dimethyl-3,4-dihydrochromene;1-tert-butyl-4-methoxybenzene;6-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine?
The InChIKey is IZOZBEYHLKILBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O.C13H19NO.C13H18O.C12H15NO.C12H16O2.C12H14O.C11H14F2O.C11H15NO2.C11H13NS.C11H16O.C10H12F3N.2C9H13N/c1-14(2,3)12-6-7-13-11(10-12)8-9-15(4,5)16-13;1-13(2,3)10-5-6-12-11(9-10)14(4)7-8-15-12;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-8-13-10-6-5-9(12(2,3)4)7-11(10)14-8;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-11(2,3)8-4-6-9(7-5-8)14-10(12)13;1-11(2,3)8-6-9-10(12-7-8)14-5-4-13-9;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)9-5-7-10(12-4)8-6-9;1-9(2,3)7-4-5-8(14-6-7)10(11,12)13;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8/h6-7,10H,8-9H2,1-5H3;5-6,9H,7-8H2,1-4H3;6-7,9H,4-5,8H2,1-3H3;5-7H,1-4H3;4-5,8H,6-7H2,1-3H3;4-8H,1-3H3;4-7,10H,1-3H3;6-7H,4-5H2,1-3H3;4-7H,1-3H3;5-8H,1-4H3;4-6H,1-3H3;2*4-7H,1-3H3.
What are the key properties of 5-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;1-tert-butyl-4-(difluoromethoxy)benzene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-3,4-dihydro-2H-chromene;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;6-tert-butyl-2,2-dimethyl-3,4-dihydrochromene;1-tert-butyl-4-methoxybenzene;6-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine?
5-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;1-tert-butyl-4-(difluoromethoxy)benzene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-3,4-dihydro-2H-chromene;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;6-tert-butyl-2,2-dimethyl-3,4-dihydrochromene;1-tert-butyl-4-methoxybenzene;6-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine has a molecular weight of 2392.33 g/mol, XLogP of 40.61, 3 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;1-tert-butyl-4-(difluoromethoxy)benzene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-3,4-dihydro-2H-chromene;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;6-tert-butyl-2,2-dimethyl-3,4-dihydrochromene;1-tert-butyl-4-methoxybenzene;6-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 158852118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).