tert-butylbenzene;6-tert-butyl-4H-1,4-benzoxazin-3-one;5-tert-butyl-1,3-dihydro-2-benzofuran;5-tert-butyl-1,3-dimethylpyrazole;3-tert-butylimidazo[1,2-a]pyridine;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;4-(4-tert-butylphenyl)pyridine;3-tert-butylpyridine;4-tert-butylquinoline;1-methyl-5-propan-2-ylindazole;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylpyridine;4-propan-2-ylpyridine

C169H216N12O6 — CID 162008735

IUPACtert-butylbenzene;6-tert-butyl-4H-1,4-benzoxazin-3-one;5-tert-butyl-1,3-dihydro-2-benzofuran;5-tert-butyl-1,3-dimethylpyrazole;3-tert-butylimidazo[1,2-a]pyridine;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;4-(4-tert-butylphenyl)pyridine;3-tert-butylpyridine;4-tert-butylquinoline;1-methyl-5-propan-2-ylindazole;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylpyridine;4-propan-2-ylpyridine
SMILESCC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2ccncc2)cc1.CC(C)(C)c1ccc2c(c1)COC2.CC(C)(C)c1ccc2c(c1)NC(=O)CO2.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1cnc2ccccn12.CC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2c(cnn2C)c1.CC(C)c1ccccn1.CC(C)c1ccncc1.Cc1cc(C(C)(C)C)n(C)n1
InChIInChI=1S/C16H18.C15H17N.C14H16.C13H15N.C12H15NO2.C12H16O.2C11H14N2.C11H14O.C10H12O2.C10H14.C9H16N2.C9H13N.2C8H11N/c1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-15(2,3)14-6-4-12(5-7-14)13-8-10-16-11-9-13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-12(2,3)8-4-5-10-9(6-8)13-11(14)7-15-10;1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;1-8(2)9-4-5-11-10(6-9)7-12-13(11)3;1-11(2,3)9-8-12-10-6-4-5-7-13(9)10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-10(2,3)9-7-5-4-6-8-9;1-7-6-8(9(2,3)4)11(5)10-7;1-9(2,3)8-5-4-6-10-7-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-9-8/h4-12H,1-3H3;4-11H,1-3H3;4-10H,1-3H3;4-9H,1-3H3;4-6H,7H2,1-3H3,(H,13,14);4-6H,7-8H2,1-3H3;2*4-8H,1-3H3;3-4,7-8H,5-6H2,1-2H3;3-5,7H,6H2,1-2H3;4-8H,1-3H3;6H,1-5H3;4-7H,1-3H3;2*3-7H,1-2H3
InChIKeyYTEJUHXNVQJOOB-UHFFFAOYSA-N
MW2511.66 g/mol
LogP44.11
Rot. Bonds7

About tert-butylbenzene;6-tert-butyl-4H-1,4-benzoxazin-3-one;5-tert-butyl-1,3-dihydro-2-benzofuran;5-tert-butyl-1,3-dimethylpyrazole;3-tert-butylimidazo[1,2-a]pyridine;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;4-(4-tert-butylphenyl)pyridine;3-tert-butylpyridine;4-tert-butylquinoline;1-methyl-5-propan-2-ylindazole;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylpyridine;4-propan-2-ylpyridine

tert-butylbenzene;6-tert-butyl-4H-1,4-benzoxazin-3-one;5-tert-butyl-1,3-dihydro-2-benzofuran;5-tert-butyl-1,3-dimethylpyrazole;3-tert-butylimidazo[1,2-a]pyridine;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;4-(4-tert-butylphenyl)pyridine;3-tert-butylpyridine;4-tert-butylquinoline;1-methyl-5-propan-2-ylindazole;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylpyridine;4-propan-2-ylpyridine (PubChem CID 162008735) has the molecular formula C169H216N12O6 and a molecular weight of 2511.66 g/mol. Its IUPAC name is tert-butylbenzene;6-tert-butyl-4H-1,4-benzoxazin-3-one;5-tert-butyl-1,3-dihydro-2-benzofuran;5-tert-butyl-1,3-dimethylpyrazole;3-tert-butylimidazo[1,2-a]pyridine;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;4-(4-tert-butylphenyl)pyridine;3-tert-butylpyridine;4-tert-butylquinoline;1-methyl-5-propan-2-ylindazole;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylpyridine;4-propan-2-ylpyridine.

Molecular Properties

Compound Nametert-butylbenzene;6-tert-butyl-4H-1,4-benzoxazin-3-one;5-tert-butyl-1,3-dihydro-2-benzofuran;5-tert-butyl-1,3-dimethylpyrazole;3-tert-butylimidazo[1,2-a]pyridine;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;4-(4-tert-butylphenyl)pyridine;3-tert-butylpyridine;4-tert-butylquinoline;1-methyl-5-propan-2-ylindazole;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylpyridine;4-propan-2-ylpyridine
PubChem CID162008735
Molecular FormulaC169H216N12O6
Molecular Weight2511.66 g/mol
Exact Mass2509.70
IUPAC Nametert-butylbenzene;6-tert-butyl-4H-1,4-benzoxazin-3-one;5-tert-butyl-1,3-dihydro-2-benzofuran;5-tert-butyl-1,3-dimethylpyrazole;3-tert-butylimidazo[1,2-a]pyridine;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;4-(4-tert-butylphenyl)pyridine;3-tert-butylpyridine;4-tert-butylquinoline;1-methyl-5-propan-2-ylindazole;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylpyridine;4-propan-2-ylpyridine
SMILESCC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2ccncc2)cc1.CC(C)(C)c1ccc2c(c1)COC2.CC(C)(C)c1ccc2c(c1)NC(=O)CO2.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1cnc2ccccn12.CC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2c(cnn2C)c1.CC(C)c1ccccn1.CC(C)c1ccncc1.Cc1cc(C(C)(C)C)n(C)n1
InChIInChI=1S/C16H18.C15H17N.C14H16.C13H15N.C12H15NO2.C12H16O.2C11H14N2.C11H14O.C10H12O2.C10H14.C9H16N2.C9H13N.2C8H11N/c1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-15(2,3)14-6-4-12(5-7-14)13-8-10-16-11-9-13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-12(2,3)8-4-5-10-9(6-8)13-11(14)7-15-10;1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;1-8(2)9-4-5-11-10(6-9)7-12-13(11)3;1-11(2,3)9-8-12-10-6-4-5-7-13(9)10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-10(2,3)9-7-5-4-6-8-9;1-7-6-8(9(2,3)4)11(5)10-7;1-9(2,3)8-5-4-6-10-7-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-9-8/h4-12H,1-3H3;4-11H,1-3H3;4-10H,1-3H3;4-9H,1-3H3;4-6H,7H2,1-3H3,(H,13,14);4-6H,7-8H2,1-3H3;2*4-8H,1-3H3;3-4,7-8H,5-6H2,1-2H3;3-5,7H,6H2,1-2H3;4-8H,1-3H3;6H,1-5H3;4-7H,1-3H3;2*3-7H,1-2H3
InChIKeyYTEJUHXNVQJOOB-UHFFFAOYSA-N
XLogP44.11
TPSA192.64 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds7
Heavy Atoms187
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002511.66
LogP ≤ 544.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Analyze tert-butylbenzene;6-tert-butyl-4H-1,4-benzoxazin-3-one;5-tert-butyl-1,3-dihydro-2-benzofuran;5-tert-butyl-1,3-dimethylpyrazole;3-tert-butylimidazo[1,2-a]pyridine;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;4-(4-tert-butylphenyl)pyridine;3-tert-butylpyridine;4-tert-butylquinoline;1-methyl-5-propan-2-ylindazole;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylpyridine;4-propan-2-ylpyridine with MolForge

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Launch Full Analysis

Related Compounds

2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2,3-dimethyl-4-propan-2-ylquinoline;1,3-dimethyl-4-propan-2-ylquinolin-2-one;2-ethyl-3-methyl-4-propan-2-yl-1,7-naphthyridine;2-ethyl-3-methyl-4-propan-2-ylquinoline;3-methoxy-2-methyl-4-propan-2-ylquinoline;6-methoxy-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-methyl-5-propan-2-ylquinoline;7-methyl-8-propan-2-ylquinoline;3-methyl-4-propan-2-yl-1H-quinolin-2-one;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-ylphthalazine;4-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylquinazoline;2,3,6-trimethyl-4-propan-2-ylquinoline
CID 160546848
6-[[5-(1,3-Benzodioxol-5-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[[5-(2,3-dihydro-1-benzofuran-5-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[[5-(2-methoxypyrimidin-5-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 87411680
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-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline
CID 157144787
5-[4-(dimethylamino)-3-methylphenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2,2-dimethylpropyl)-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetamide;N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 157212683
7-tert-butyl-4H-chromen-3-one;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;5-tert-butylisoindole-1,3-dione;8-tert-butyl-3-methylidene-4H-1,4-benzoxazine;6-tert-butyl-2-methylidene-3,4-dihydro-1,4-benzoxazine;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;5-tert-butyl-2-methylisoindole-1,3-dione;5-tert-butyl-2-prop-2-enylisoindole-1,3-dione;5-tert-butyl-2-propylisoindole-1,3-dione;5-tert-butyl-2-pyridin-2-ylisoindole-1,3-dione;6-tert-butyl-1H-pyrrolo[2,3-b]pyridine;7-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 157338514
bis(tert-butylcyclohexane);6-tert-butyl-1-cyclohexylindazole;5-tert-butyl-1-methylbenzimidazole;bis(6-tert-butyl-1-methylbenzimidazole);5-tert-butyl-4-methyl-1,4-benzoxazin-3-one;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindazole;6-tert-butyl-1-(1-methylpiperidin-4-yl)indazole;1-tert-butylnaphthalene;4-tert-butyloxane;8-tert-butyl-2-piperidin-1-ylquinoline;5-tert-butylquinoxaline;8-tert-butyl-1H-quinoxalin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline;methane
CID 157355895
1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;3,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;5-fluoro-1-methyl-3-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;5-fluoro-1-methyl-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-4-propan-2-ylindazole;2-methyl-4-propan-2-ylindazole;4-methyl-7-(4-propan-2-yl-2-pyridinyl)-1,4-benzoxazin-3-one;6-methyl-3-(4-propan-2-yl-2-pyridinyl)-7H-cyclopenta[b]pyridine;1-methyl-5-(4-propan-2-yl-2-pyridinyl)indazol-3-amine;8-propan-2-yl-4H-1,4-benzoxazin-3-one
CID 157378330
6-tert-butyl-1-cyclohexylindazole;5-tert-butyl-1-methylbenzimidazole;5-tert-butyl-4-methyl-1,4-benzoxazin-3-one;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;8-tert-butyl-2-methylidene-1H-quinoxaline;4-tert-butyl-1-methylindazole;6-tert-butyl-1-(1-methylpiperidin-4-yl)indazole;1-tert-butylnaphthalene;4-tert-butyloxane;8-tert-butyl-2-piperidin-1-ylquinoline;5-tert-butylquinoxaline;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 157390973
CID 157443510
CID 157443510
7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;7-tert-butyl-4-methyl-1,4-benzoxazin-3-one;bis(4-tert-butyl-1-methylindazole);5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;6-tert-butyl-1-methylquinolin-2-one;6-tert-butyl-1H-quinolin-2-one;7-tert-butyl-2,2,4-trimethyl-1,4-benzoxazin-3-one;1-methyl-6-propan-2-yl-3,4-dihydroquinolin-2-one
CID 157530264
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;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butylpyrazine;bis(2-tert-butylpyridine);3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;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 157606991
4,6-dimethyl-2,3-dihydro-1,4-benzoxazine;5-methyl-1,3-benzodioxole;6-methyl-4H-chromen-3-one;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-3,4-dihydro-2H-chromene;6-methylimidazo[1,2-b]pyridazine;3-[(6-methylquinazolin-2-yl)methyl]-1,2,4-oxadiazole
CID 157608346

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;6-tert-butyl-4H-1,4-benzoxazin-3-one;5-tert-butyl-1,3-dihydro-2-benzofuran;5-tert-butyl-1,3-dimethylpyrazole;3-tert-butylimidazo[1,2-a]pyridine;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;4-(4-tert-butylphenyl)pyridine;3-tert-butylpyridine;4-tert-butylquinoline;1-methyl-5-propan-2-ylindazole;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylpyridine;4-propan-2-ylpyridine?
The IUPAC name of tert-butylbenzene;6-tert-butyl-4H-1,4-benzoxazin-3-one;5-tert-butyl-1,3-dihydro-2-benzofuran;5-tert-butyl-1,3-dimethylpyrazole;3-tert-butylimidazo[1,2-a]pyridine;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;4-(4-tert-butylphenyl)pyridine;3-tert-butylpyridine;4-tert-butylquinoline;1-methyl-5-propan-2-ylindazole;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylpyridine;4-propan-2-ylpyridine (CID 162008735) is tert-butylbenzene;6-tert-butyl-4H-1,4-benzoxazin-3-one;5-tert-butyl-1,3-dihydro-2-benzofuran;5-tert-butyl-1,3-dimethylpyrazole;3-tert-butylimidazo[1,2-a]pyridine;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;4-(4-tert-butylphenyl)pyridine;3-tert-butylpyridine;4-tert-butylquinoline;1-methyl-5-propan-2-ylindazole;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylpyridine;4-propan-2-ylpyridine.
What is the SMILES notation for tert-butylbenzene;6-tert-butyl-4H-1,4-benzoxazin-3-one;5-tert-butyl-1,3-dihydro-2-benzofuran;5-tert-butyl-1,3-dimethylpyrazole;3-tert-butylimidazo[1,2-a]pyridine;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;4-(4-tert-butylphenyl)pyridine;3-tert-butylpyridine;4-tert-butylquinoline;1-methyl-5-propan-2-ylindazole;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylpyridine;4-propan-2-ylpyridine?
The canonical SMILES for tert-butylbenzene;6-tert-butyl-4H-1,4-benzoxazin-3-one;5-tert-butyl-1,3-dihydro-2-benzofuran;5-tert-butyl-1,3-dimethylpyrazole;3-tert-butylimidazo[1,2-a]pyridine;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;4-(4-tert-butylphenyl)pyridine;3-tert-butylpyridine;4-tert-butylquinoline;1-methyl-5-propan-2-ylindazole;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylpyridine;4-propan-2-ylpyridine is CC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2ccncc2)cc1.CC(C)(C)c1ccc2c(c1)COC2.CC(C)(C)c1ccc2c(c1)NC(=O)CO2.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1cnc2ccccn12.CC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2c(cnn2C)c1.CC(C)c1ccccn1.CC(C)c1ccncc1.Cc1cc(C(C)(C)C)n(C)n1.
What is the InChIKey of tert-butylbenzene;6-tert-butyl-4H-1,4-benzoxazin-3-one;5-tert-butyl-1,3-dihydro-2-benzofuran;5-tert-butyl-1,3-dimethylpyrazole;3-tert-butylimidazo[1,2-a]pyridine;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;4-(4-tert-butylphenyl)pyridine;3-tert-butylpyridine;4-tert-butylquinoline;1-methyl-5-propan-2-ylindazole;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylpyridine;4-propan-2-ylpyridine?
The InChIKey is YTEJUHXNVQJOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18.C15H17N.C14H16.C13H15N.C12H15NO2.C12H16O.2C11H14N2.C11H14O.C10H12O2.C10H14.C9H16N2.C9H13N.2C8H11N/c1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-15(2,3)14-6-4-12(5-7-14)13-8-10-16-11-9-13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-12(2,3)8-4-5-10-9(6-8)13-11(14)7-15-10;1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;1-8(2)9-4-5-11-10(6-9)7-12-13(11)3;1-11(2,3)9-8-12-10-6-4-5-7-13(9)10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-10(2,3)9-7-5-4-6-8-9;1-7-6-8(9(2,3)4)11(5)10-7;1-9(2,3)8-5-4-6-10-7-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-9-8/h4-12H,1-3H3;4-11H,1-3H3;4-10H,1-3H3;4-9H,1-3H3;4-6H,7H2,1-3H3,(H,13,14);4-6H,7-8H2,1-3H3;2*4-8H,1-3H3;3-4,7-8H,5-6H2,1-2H3;3-5,7H,6H2,1-2H3;4-8H,1-3H3;6H,1-5H3;4-7H,1-3H3;2*3-7H,1-2H3.
What are the key properties of tert-butylbenzene;6-tert-butyl-4H-1,4-benzoxazin-3-one;5-tert-butyl-1,3-dihydro-2-benzofuran;5-tert-butyl-1,3-dimethylpyrazole;3-tert-butylimidazo[1,2-a]pyridine;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;4-(4-tert-butylphenyl)pyridine;3-tert-butylpyridine;4-tert-butylquinoline;1-methyl-5-propan-2-ylindazole;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylpyridine;4-propan-2-ylpyridine?
tert-butylbenzene;6-tert-butyl-4H-1,4-benzoxazin-3-one;5-tert-butyl-1,3-dihydro-2-benzofuran;5-tert-butyl-1,3-dimethylpyrazole;3-tert-butylimidazo[1,2-a]pyridine;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;4-(4-tert-butylphenyl)pyridine;3-tert-butylpyridine;4-tert-butylquinoline;1-methyl-5-propan-2-ylindazole;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylpyridine;4-propan-2-ylpyridine has a molecular weight of 2511.66 g/mol, XLogP of 44.11, 7 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;6-tert-butyl-4H-1,4-benzoxazin-3-one;5-tert-butyl-1,3-dihydro-2-benzofuran;5-tert-butyl-1,3-dimethylpyrazole;3-tert-butylimidazo[1,2-a]pyridine;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;4-(4-tert-butylphenyl)pyridine;3-tert-butylpyridine;4-tert-butylquinoline;1-methyl-5-propan-2-ylindazole;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylpyridine;4-propan-2-ylpyridine is sourced from PubChem (CID 162008735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).