tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;1-tert-butyl-2,3-difluorobenzene;2-tert-butyl-1,3-difluorobenzene;4-tert-butyl-2-(difluoromethyl)-1-methylbenzene;3-tert-butyl-2,3-dihydro-1-benzofuran;2-tert-butyl-3,4-dihydro-2H-chromene;3-tert-butyl-2,3-dihydro-1H-indole;1-(3-tert-butyl-2,3-dihydroindol-1-yl)ethanone;bis(1-tert-butyl-2-fluorobenzene);1-tert-butyl-3-fluorobenzene;2-tert-butyl-1-fluoro-3-methoxybenzene;1-tert-butyl-3-fluoro-5-methylbenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;(4-tert-butylphenyl) acetate;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butylpyrimidine;1-tert-butyl-1,2,3,4-tetrahydronaphthalene

C238H325F11N8O10 — CID 159230348

IUPACtert-butylbenzene;5-tert-butyl-1,3-benzodioxole;1-tert-butyl-2,3-difluorobenzene;2-tert-butyl-1,3-difluorobenzene;4-tert-butyl-2-(difluoromethyl)-1-methylbenzene;3-tert-butyl-2,3-dihydro-1-benzofuran;2-tert-butyl-3,4-dihydro-2H-chromene;3-tert-butyl-2,3-dihydro-1H-indole;1-(3-tert-butyl-2,3-dihydroindol-1-yl)ethanone;bis(1-tert-butyl-2-fluorobenzene);1-tert-butyl-3-fluorobenzene;2-tert-butyl-1-fluoro-3-methoxybenzene;1-tert-butyl-3-fluoro-5-methylbenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;(4-tert-butylphenyl) acetate;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butylpyrimidine;1-tert-butyl-1,2,3,4-tetrahydronaphthalene
SMILESCC(=O)N1CC(C(C)(C)C)c2ccccc21.CC(=O)Oc1ccc(C(C)(C)C)cc1.CC(C)(C)C1CCCc2ccccc21.CC(C)(C)C1CCc2ccccc2O1.CC(C)(C)C1CNc2ccccc21.CC(C)(C)C1COc2ccccc21.CC(C)(C)c1c(F)cccc1F.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1cccc(F)c1F.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1F.CC(C)(C)c1ccccc1F.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.COc1cccc(C(C)(C)C)c1.COc1cccc(F)c1C(C)(C)C.COc1ccccc1C(C)(C)C.Cc1cc(F)cc(C(C)(C)C)c1.Cc1ccc(C(C)(C)C)cc1C(F)F
InChIInChI=1S/C14H19NO.C14H20.C13H18O.C12H16F2.C12H17N.C12H16O2.C12H16O.C11H15FO.C11H15F.C11H14O2.2C11H16O.2C10H12F2.3C10H13F.C10H14.2C9H13N.2C8H12N2/c1-10(16)15-9-12(14(2,3)4)11-7-5-6-8-13(11)15;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12;1-8-5-6-9(12(2,3)4)7-10(8)11(13)14;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-9(13)14-11-7-5-10(6-8-11)12(2,3)4;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-11(2,3)10-8(12)6-5-7-9(10)13-4;1-8-5-9(11(2,3)4)7-10(12)6-8;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)9-6-5-7-10(8-9)12-4;1-11(2,3)9-7-5-6-8-10(9)12-4;1-10(2,3)9-7(11)5-4-6-8(9)12;1-10(2,3)7-5-4-6-8(11)9(7)12;1-10(2,3)8-5-4-6-9(11)7-8;2*1-10(2,3)8-6-4-5-7-9(8)11;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)7-4-9-6-10-5-7;1-8(2,3)7-6-9-4-5-10-7/h5-8,12H,9H2,1-4H3;4-5,7,9,13H,6,8,10H2,1-3H3;4-7,12H,8-9H2,1-3H3;5-7,11H,1-4H3;4-7,10,13H,8H2,1-3H3;5-8H,1-4H3;4-7,10H,8H2,1-3H3;5-7H,1-4H3;5-7H,1-4H3;4-6H,7H2,1-3H3;2*5-8H,1-4H3;2*4-6H,1-3H3;3*4-7H,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3;2*4-6H,1-3H3
InChIKeyKSUYHBGRMPCDAN-UHFFFAOYSA-N
MW3667.24 g/mol
LogP66.80
Rot. Bonds5

About tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;1-tert-butyl-2,3-difluorobenzene;2-tert-butyl-1,3-difluorobenzene;4-tert-butyl-2-(difluoromethyl)-1-methylbenzene;3-tert-butyl-2,3-dihydro-1-benzofuran;2-tert-butyl-3,4-dihydro-2H-chromene;3-tert-butyl-2,3-dihydro-1H-indole;1-(3-tert-butyl-2,3-dihydroindol-1-yl)ethanone;bis(1-tert-butyl-2-fluorobenzene);1-tert-butyl-3-fluorobenzene;2-tert-butyl-1-fluoro-3-methoxybenzene;1-tert-butyl-3-fluoro-5-methylbenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;(4-tert-butylphenyl) acetate;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butylpyrimidine;1-tert-butyl-1,2,3,4-tetrahydronaphthalene

tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;1-tert-butyl-2,3-difluorobenzene;2-tert-butyl-1,3-difluorobenzene;4-tert-butyl-2-(difluoromethyl)-1-methylbenzene;3-tert-butyl-2,3-dihydro-1-benzofuran;2-tert-butyl-3,4-dihydro-2H-chromene;3-tert-butyl-2,3-dihydro-1H-indole;1-(3-tert-butyl-2,3-dihydroindol-1-yl)ethanone;bis(1-tert-butyl-2-fluorobenzene);1-tert-butyl-3-fluorobenzene;2-tert-butyl-1-fluoro-3-methoxybenzene;1-tert-butyl-3-fluoro-5-methylbenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;(4-tert-butylphenyl) acetate;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butylpyrimidine;1-tert-butyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 159230348) has the molecular formula C238H325F11N8O10 and a molecular weight of 3667.24 g/mol. Its IUPAC name is tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;1-tert-butyl-2,3-difluorobenzene;2-tert-butyl-1,3-difluorobenzene;4-tert-butyl-2-(difluoromethyl)-1-methylbenzene;3-tert-butyl-2,3-dihydro-1-benzofuran;2-tert-butyl-3,4-dihydro-2H-chromene;3-tert-butyl-2,3-dihydro-1H-indole;1-(3-tert-butyl-2,3-dihydroindol-1-yl)ethanone;bis(1-tert-butyl-2-fluorobenzene);1-tert-butyl-3-fluorobenzene;2-tert-butyl-1-fluoro-3-methoxybenzene;1-tert-butyl-3-fluoro-5-methylbenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;(4-tert-butylphenyl) acetate;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butylpyrimidine;1-tert-butyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Nametert-butylbenzene;5-tert-butyl-1,3-benzodioxole;1-tert-butyl-2,3-difluorobenzene;2-tert-butyl-1,3-difluorobenzene;4-tert-butyl-2-(difluoromethyl)-1-methylbenzene;3-tert-butyl-2,3-dihydro-1-benzofuran;2-tert-butyl-3,4-dihydro-2H-chromene;3-tert-butyl-2,3-dihydro-1H-indole;1-(3-tert-butyl-2,3-dihydroindol-1-yl)ethanone;bis(1-tert-butyl-2-fluorobenzene);1-tert-butyl-3-fluorobenzene;2-tert-butyl-1-fluoro-3-methoxybenzene;1-tert-butyl-3-fluoro-5-methylbenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;(4-tert-butylphenyl) acetate;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butylpyrimidine;1-tert-butyl-1,2,3,4-tetrahydronaphthalene
PubChem CID159230348
Molecular FormulaC238H325F11N8O10
Molecular Weight3667.24 g/mol
Exact Mass3664.50
IUPAC Nametert-butylbenzene;5-tert-butyl-1,3-benzodioxole;1-tert-butyl-2,3-difluorobenzene;2-tert-butyl-1,3-difluorobenzene;4-tert-butyl-2-(difluoromethyl)-1-methylbenzene;3-tert-butyl-2,3-dihydro-1-benzofuran;2-tert-butyl-3,4-dihydro-2H-chromene;3-tert-butyl-2,3-dihydro-1H-indole;1-(3-tert-butyl-2,3-dihydroindol-1-yl)ethanone;bis(1-tert-butyl-2-fluorobenzene);1-tert-butyl-3-fluorobenzene;2-tert-butyl-1-fluoro-3-methoxybenzene;1-tert-butyl-3-fluoro-5-methylbenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;(4-tert-butylphenyl) acetate;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butylpyrimidine;1-tert-butyl-1,2,3,4-tetrahydronaphthalene
SMILESCC(=O)N1CC(C(C)(C)C)c2ccccc21.CC(=O)Oc1ccc(C(C)(C)C)cc1.CC(C)(C)C1CCCc2ccccc21.CC(C)(C)C1CCc2ccccc2O1.CC(C)(C)C1CNc2ccccc21.CC(C)(C)C1COc2ccccc21.CC(C)(C)c1c(F)cccc1F.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1cccc(F)c1F.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1F.CC(C)(C)c1ccccc1F.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.COc1cccc(C(C)(C)C)c1.COc1cccc(F)c1C(C)(C)C.COc1ccccc1C(C)(C)C.Cc1cc(F)cc(C(C)(C)C)c1.Cc1ccc(C(C)(C)C)cc1C(F)F
InChIInChI=1S/C14H19NO.C14H20.C13H18O.C12H16F2.C12H17N.C12H16O2.C12H16O.C11H15FO.C11H15F.C11H14O2.2C11H16O.2C10H12F2.3C10H13F.C10H14.2C9H13N.2C8H12N2/c1-10(16)15-9-12(14(2,3)4)11-7-5-6-8-13(11)15;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12;1-8-5-6-9(12(2,3)4)7-10(8)11(13)14;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-9(13)14-11-7-5-10(6-8-11)12(2,3)4;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-11(2,3)10-8(12)6-5-7-9(10)13-4;1-8-5-9(11(2,3)4)7-10(12)6-8;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)9-6-5-7-10(8-9)12-4;1-11(2,3)9-7-5-6-8-10(9)12-4;1-10(2,3)9-7(11)5-4-6-8(9)12;1-10(2,3)7-5-4-6-8(11)9(7)12;1-10(2,3)8-5-4-6-9(11)7-8;2*1-10(2,3)8-6-4-5-7-9(8)11;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)7-4-9-6-10-5-7;1-8(2,3)7-6-9-4-5-10-7/h5-8,12H,9H2,1-4H3;4-5,7,9,13H,6,8,10H2,1-3H3;4-7,12H,8-9H2,1-3H3;5-7,11H,1-4H3;4-7,10,13H,8H2,1-3H3;5-8H,1-4H3;4-7,10H,8H2,1-3H3;5-7H,1-4H3;5-7H,1-4H3;4-6H,7H2,1-3H3;2*5-8H,1-4H3;2*4-6H,1-3H3;3*4-7H,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3;2*4-6H,1-3H3
InChIKeyKSUYHBGRMPCDAN-UHFFFAOYSA-N
XLogP66.80
TPSA200.59 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds5
Heavy Atoms267
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003667.24
LogP ≤ 566.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;1-tert-butyl-2,3-difluorobenzene;2-tert-butyl-1,3-difluorobenzene;4-tert-butyl-2-(difluoromethyl)-1-methylbenzene;3-tert-butyl-2,3-dihydro-1-benzofuran;2-tert-butyl-3,4-dihydro-2H-chromene;3-tert-butyl-2,3-dihydro-1H-indole;1-(3-tert-butyl-2,3-dihydroindol-1-yl)ethanone;bis(1-tert-butyl-2-fluorobenzene);1-tert-butyl-3-fluorobenzene;2-tert-butyl-1-fluoro-3-methoxybenzene;1-tert-butyl-3-fluoro-5-methylbenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;(4-tert-butylphenyl) acetate;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butylpyrimidine;1-tert-butyl-1,2,3,4-tetrahydronaphthalene with MolForge

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Launch Full Analysis

Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-cyclohexyl-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(2,4-dimethylphenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methylphenyl)methyl]pyrimidin-2-amine;2-[[2-(4-fluorophenyl)-3-[2-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide
CID 157122600
3-tert-butyl-2,3-dihydro-1-benzofuran;tert-butyl 4-(2,2-dimethylpropyl)piperidine-1-carboxylate;4-tert-butyl-6-fluoro-3,4-dihydro-2H-chromene;4-tert-butyloxane;2-tert-butyl-4-(trifluoromethyl)pyrimidine;5-(2,2-dimethylpropyl)-1,3-benzodioxole;6-(2,2-dimethylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine;5-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;5-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;2-(2,2-dimethylpropyl)-1-methylpiperidine;5-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)oxolane;4-(2,2-dimethylpropyl)piperidine;1-methyl-5-propan-2-ylpyrazole;3-propan-2-yl-2H-pyrrole
CID 158871200
3-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-2,3-dihydro-1H-indene;tert-butyl 4-(2,2-dimethylpropyl)piperidine-1-carboxylate;4-tert-butyl-6-fluoro-3,4-dihydro-2H-chromene;4-tert-butyloxane;5-(2,2-dimethylpropyl)-1,3-benzodioxole;6-(2,2-dimethylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine;5-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;5-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;2-(2,2-dimethylpropyl)-1-methylpiperidine;5-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)oxolane;4-(2,2-dimethylpropyl)piperidine;1-methyl-5-propan-2-ylpyrazole;3-propan-2-yl-2H-pyrrole
CID 157775718
3-tert-butyl-2,3-dihydro-1-benzofuran;tert-butyl 4-(2,2-dimethylpropyl)piperidine-1-carboxylate;4-tert-butyl-6-fluoro-3,4-dihydro-2H-chromene;4-tert-butyloxane;5-(2,2-dimethylpropyl)-1,3-benzodioxole;6-(2,2-dimethylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine;5-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;5-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;2-(2,2-dimethylpropyl)-1-methylpiperidine;4-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)oxolane;4-(2,2-dimethylpropyl)piperidine
CID 158309609
4-Tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;5-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;7-tert-butyl-1-methylbenzimidazole;1-tert-butylnaphthalene;2-tert-butylnaphthalene;5-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline;8-tert-butylquinazoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline;5-tert-butylquinoxaline;6-tert-butylquinoxaline
CID 159070447
2-[4-[8-(1,3-Benzodioxol-5-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]ethanamine
CID 159615679
1-tert-butyl-4,7-difluoro-2,3-dihydro-1H-indene;3-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-2,3-dihydro-1H-indene;tert-butyl 4-(2,2-dimethylpropyl)piperidine-1-carboxylate;4-tert-butyl-6-fluoro-3,4-dihydro-2H-chromene;4-tert-butyloxane;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;5-(2,2-dimethylpropyl)-1,3-benzodioxole;6-(2,2-dimethylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine;5-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;5-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;2-(2,2-dimethylpropyl)-1-methylpiperidine;4-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)oxolane;4-(2,2-dimethylpropyl)piperidine
CID 160326209
3-[4-[8-(1,3-Benzodioxol-5-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]propan-1-amine
CID 160635046
4-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;5-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;7-tert-butyl-1-methylbenzimidazole;1-tert-butylnaphthalene;2-tert-butylnaphthalene;5-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline;8-tert-butylquinazoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline;methane
CID 160646058
3-tert-butyl-2,3-dihydro-1-benzofuran;tert-butyl 4-(2,2-dimethylpropyl)piperidine-1-carboxylate;4-tert-butyl-6-fluoro-3,4-dihydro-2H-chromene;4-tert-butyloxane;5-(2,2-dimethylpropyl)-1,3-benzodioxole;6-(2,2-dimethylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine;5-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;5-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;2-(2,2-dimethylpropyl)-1-methylpiperidine;5-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)oxolane;4-(2,2-dimethylpropyl)piperidine
CID 161307852
4-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;5-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;7-tert-butyl-1-methylbenzimidazole;1-tert-butylnaphthalene;2-tert-butylnaphthalene;5-tert-butylquinazoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline
CID 162095911
4-Tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;5-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;7-tert-butyl-1-methylbenzimidazole;1-tert-butylnaphthalene;2-tert-butylnaphthalene;5-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline;8-tert-butylquinazoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline
CID 164981750

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;1-tert-butyl-2,3-difluorobenzene;2-tert-butyl-1,3-difluorobenzene;4-tert-butyl-2-(difluoromethyl)-1-methylbenzene;3-tert-butyl-2,3-dihydro-1-benzofuran;2-tert-butyl-3,4-dihydro-2H-chromene;3-tert-butyl-2,3-dihydro-1H-indole;1-(3-tert-butyl-2,3-dihydroindol-1-yl)ethanone;bis(1-tert-butyl-2-fluorobenzene);1-tert-butyl-3-fluorobenzene;2-tert-butyl-1-fluoro-3-methoxybenzene;1-tert-butyl-3-fluoro-5-methylbenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;(4-tert-butylphenyl) acetate;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butylpyrimidine;1-tert-butyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;1-tert-butyl-2,3-difluorobenzene;2-tert-butyl-1,3-difluorobenzene;4-tert-butyl-2-(difluoromethyl)-1-methylbenzene;3-tert-butyl-2,3-dihydro-1-benzofuran;2-tert-butyl-3,4-dihydro-2H-chromene;3-tert-butyl-2,3-dihydro-1H-indole;1-(3-tert-butyl-2,3-dihydroindol-1-yl)ethanone;bis(1-tert-butyl-2-fluorobenzene);1-tert-butyl-3-fluorobenzene;2-tert-butyl-1-fluoro-3-methoxybenzene;1-tert-butyl-3-fluoro-5-methylbenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;(4-tert-butylphenyl) acetate;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butylpyrimidine;1-tert-butyl-1,2,3,4-tetrahydronaphthalene (CID 159230348) is tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;1-tert-butyl-2,3-difluorobenzene;2-tert-butyl-1,3-difluorobenzene;4-tert-butyl-2-(difluoromethyl)-1-methylbenzene;3-tert-butyl-2,3-dihydro-1-benzofuran;2-tert-butyl-3,4-dihydro-2H-chromene;3-tert-butyl-2,3-dihydro-1H-indole;1-(3-tert-butyl-2,3-dihydroindol-1-yl)ethanone;bis(1-tert-butyl-2-fluorobenzene);1-tert-butyl-3-fluorobenzene;2-tert-butyl-1-fluoro-3-methoxybenzene;1-tert-butyl-3-fluoro-5-methylbenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;(4-tert-butylphenyl) acetate;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butylpyrimidine;1-tert-butyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;1-tert-butyl-2,3-difluorobenzene;2-tert-butyl-1,3-difluorobenzene;4-tert-butyl-2-(difluoromethyl)-1-methylbenzene;3-tert-butyl-2,3-dihydro-1-benzofuran;2-tert-butyl-3,4-dihydro-2H-chromene;3-tert-butyl-2,3-dihydro-1H-indole;1-(3-tert-butyl-2,3-dihydroindol-1-yl)ethanone;bis(1-tert-butyl-2-fluorobenzene);1-tert-butyl-3-fluorobenzene;2-tert-butyl-1-fluoro-3-methoxybenzene;1-tert-butyl-3-fluoro-5-methylbenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;(4-tert-butylphenyl) acetate;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butylpyrimidine;1-tert-butyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;1-tert-butyl-2,3-difluorobenzene;2-tert-butyl-1,3-difluorobenzene;4-tert-butyl-2-(difluoromethyl)-1-methylbenzene;3-tert-butyl-2,3-dihydro-1-benzofuran;2-tert-butyl-3,4-dihydro-2H-chromene;3-tert-butyl-2,3-dihydro-1H-indole;1-(3-tert-butyl-2,3-dihydroindol-1-yl)ethanone;bis(1-tert-butyl-2-fluorobenzene);1-tert-butyl-3-fluorobenzene;2-tert-butyl-1-fluoro-3-methoxybenzene;1-tert-butyl-3-fluoro-5-methylbenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;(4-tert-butylphenyl) acetate;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butylpyrimidine;1-tert-butyl-1,2,3,4-tetrahydronaphthalene is CC(=O)N1CC(C(C)(C)C)c2ccccc21.CC(=O)Oc1ccc(C(C)(C)C)cc1.CC(C)(C)C1CCCc2ccccc21.CC(C)(C)C1CCc2ccccc2O1.CC(C)(C)C1CNc2ccccc21.CC(C)(C)C1COc2ccccc21.CC(C)(C)c1c(F)cccc1F.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1cccc(F)c1F.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1F.CC(C)(C)c1ccccc1F.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.COc1cccc(C(C)(C)C)c1.COc1cccc(F)c1C(C)(C)C.COc1ccccc1C(C)(C)C.Cc1cc(F)cc(C(C)(C)C)c1.Cc1ccc(C(C)(C)C)cc1C(F)F.
What is the InChIKey of tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;1-tert-butyl-2,3-difluorobenzene;2-tert-butyl-1,3-difluorobenzene;4-tert-butyl-2-(difluoromethyl)-1-methylbenzene;3-tert-butyl-2,3-dihydro-1-benzofuran;2-tert-butyl-3,4-dihydro-2H-chromene;3-tert-butyl-2,3-dihydro-1H-indole;1-(3-tert-butyl-2,3-dihydroindol-1-yl)ethanone;bis(1-tert-butyl-2-fluorobenzene);1-tert-butyl-3-fluorobenzene;2-tert-butyl-1-fluoro-3-methoxybenzene;1-tert-butyl-3-fluoro-5-methylbenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;(4-tert-butylphenyl) acetate;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butylpyrimidine;1-tert-butyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is KSUYHBGRMPCDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO.C14H20.C13H18O.C12H16F2.C12H17N.C12H16O2.C12H16O.C11H15FO.C11H15F.C11H14O2.2C11H16O.2C10H12F2.3C10H13F.C10H14.2C9H13N.2C8H12N2/c1-10(16)15-9-12(14(2,3)4)11-7-5-6-8-13(11)15;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12;1-8-5-6-9(12(2,3)4)7-10(8)11(13)14;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-9(13)14-11-7-5-10(6-8-11)12(2,3)4;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-11(2,3)10-8(12)6-5-7-9(10)13-4;1-8-5-9(11(2,3)4)7-10(12)6-8;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)9-6-5-7-10(8-9)12-4;1-11(2,3)9-7-5-6-8-10(9)12-4;1-10(2,3)9-7(11)5-4-6-8(9)12;1-10(2,3)7-5-4-6-8(11)9(7)12;1-10(2,3)8-5-4-6-9(11)7-8;2*1-10(2,3)8-6-4-5-7-9(8)11;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)7-4-9-6-10-5-7;1-8(2,3)7-6-9-4-5-10-7/h5-8,12H,9H2,1-4H3;4-5,7,9,13H,6,8,10H2,1-3H3;4-7,12H,8-9H2,1-3H3;5-7,11H,1-4H3;4-7,10,13H,8H2,1-3H3;5-8H,1-4H3;4-7,10H,8H2,1-3H3;5-7H,1-4H3;5-7H,1-4H3;4-6H,7H2,1-3H3;2*5-8H,1-4H3;2*4-6H,1-3H3;3*4-7H,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3;2*4-6H,1-3H3.
What are the key properties of tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;1-tert-butyl-2,3-difluorobenzene;2-tert-butyl-1,3-difluorobenzene;4-tert-butyl-2-(difluoromethyl)-1-methylbenzene;3-tert-butyl-2,3-dihydro-1-benzofuran;2-tert-butyl-3,4-dihydro-2H-chromene;3-tert-butyl-2,3-dihydro-1H-indole;1-(3-tert-butyl-2,3-dihydroindol-1-yl)ethanone;bis(1-tert-butyl-2-fluorobenzene);1-tert-butyl-3-fluorobenzene;2-tert-butyl-1-fluoro-3-methoxybenzene;1-tert-butyl-3-fluoro-5-methylbenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;(4-tert-butylphenyl) acetate;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butylpyrimidine;1-tert-butyl-1,2,3,4-tetrahydronaphthalene?
tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;1-tert-butyl-2,3-difluorobenzene;2-tert-butyl-1,3-difluorobenzene;4-tert-butyl-2-(difluoromethyl)-1-methylbenzene;3-tert-butyl-2,3-dihydro-1-benzofuran;2-tert-butyl-3,4-dihydro-2H-chromene;3-tert-butyl-2,3-dihydro-1H-indole;1-(3-tert-butyl-2,3-dihydroindol-1-yl)ethanone;bis(1-tert-butyl-2-fluorobenzene);1-tert-butyl-3-fluorobenzene;2-tert-butyl-1-fluoro-3-methoxybenzene;1-tert-butyl-3-fluoro-5-methylbenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;(4-tert-butylphenyl) acetate;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butylpyrimidine;1-tert-butyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 3667.24 g/mol, XLogP of 66.80, 5 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;1-tert-butyl-2,3-difluorobenzene;2-tert-butyl-1,3-difluorobenzene;4-tert-butyl-2-(difluoromethyl)-1-methylbenzene;3-tert-butyl-2,3-dihydro-1-benzofuran;2-tert-butyl-3,4-dihydro-2H-chromene;3-tert-butyl-2,3-dihydro-1H-indole;1-(3-tert-butyl-2,3-dihydroindol-1-yl)ethanone;bis(1-tert-butyl-2-fluorobenzene);1-tert-butyl-3-fluorobenzene;2-tert-butyl-1-fluoro-3-methoxybenzene;1-tert-butyl-3-fluoro-5-methylbenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;(4-tert-butylphenyl) acetate;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butylpyrimidine;1-tert-butyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 159230348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).