tert-butylbenzene;5-tert-butyl-1,3-dihydro-2-benzofuran;7-tert-butyl-1,4-dihydro-3,1-benzoxazin-2-one;6-tert-butyl-3,4-dihydro-1H-isochromene;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine

C167H232N22O4 — CID 162223265

IUPACtert-butylbenzene;5-tert-butyl-1,3-dihydro-2-benzofuran;7-tert-butyl-1,4-dihydro-3,1-benzoxazin-2-one;6-tert-butyl-3,4-dihydro-1H-isochromene;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine
SMILESCC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(c1)CCOC2.CC(C)(C)c1ccc2c(c1)COC2.CC(C)(C)c1ccc2c(c1)NC(=O)OC2.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnn1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncn1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.CC(C)(C)c1ncccn1
InChIInChI=1S/C13H18O.C12H15NO2.2C12H15N.C12H16O.2C11H14N2.C10H14.3C9H13N.5C8H12N2.C7H12N2/c1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-12(2,3)9-5-4-8-7-15-11(14)13-10(8)6-9;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;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;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-5-4-6-9-10-7;1-7(2,3)6-4-8-9-5-6/h4-5,8H,6-7,9H2,1-3H3;4-6H,7H2,1-3H3,(H,13,14);2*4-8,13H,1-3H3;4-6H,7-8H2,1-3H3;2*4-7H,1-3H3,(H,12,13);4-8H,1-3H3;3*4-7H,1-3H3;5*4-6H,1-3H3;4-5H,1-3H3,(H,8,9)
InChIKeyZUKMHTZZGGRGJZ-UHFFFAOYSA-N
MW2611.84 g/mol
LogP42.47
Rot. Bonds

About tert-butylbenzene;5-tert-butyl-1,3-dihydro-2-benzofuran;7-tert-butyl-1,4-dihydro-3,1-benzoxazin-2-one;6-tert-butyl-3,4-dihydro-1H-isochromene;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine

tert-butylbenzene;5-tert-butyl-1,3-dihydro-2-benzofuran;7-tert-butyl-1,4-dihydro-3,1-benzoxazin-2-one;6-tert-butyl-3,4-dihydro-1H-isochromene;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine (PubChem CID 162223265) has the molecular formula C167H232N22O4 and a molecular weight of 2611.84 g/mol. Its IUPAC name is tert-butylbenzene;5-tert-butyl-1,3-dihydro-2-benzofuran;7-tert-butyl-1,4-dihydro-3,1-benzoxazin-2-one;6-tert-butyl-3,4-dihydro-1H-isochromene;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine.

Molecular Properties

Compound Nametert-butylbenzene;5-tert-butyl-1,3-dihydro-2-benzofuran;7-tert-butyl-1,4-dihydro-3,1-benzoxazin-2-one;6-tert-butyl-3,4-dihydro-1H-isochromene;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine
PubChem CID162223265
Molecular FormulaC167H232N22O4
Molecular Weight2611.84 g/mol
Exact Mass2609.86
IUPAC Nametert-butylbenzene;5-tert-butyl-1,3-dihydro-2-benzofuran;7-tert-butyl-1,4-dihydro-3,1-benzoxazin-2-one;6-tert-butyl-3,4-dihydro-1H-isochromene;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine
SMILESCC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(c1)CCOC2.CC(C)(C)c1ccc2c(c1)COC2.CC(C)(C)c1ccc2c(c1)NC(=O)OC2.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnn1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncn1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.CC(C)(C)c1ncccn1
InChIInChI=1S/C13H18O.C12H15NO2.2C12H15N.C12H16O.2C11H14N2.C10H14.3C9H13N.5C8H12N2.C7H12N2/c1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-12(2,3)9-5-4-8-7-15-11(14)13-10(8)6-9;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;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;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-5-4-6-9-10-7;1-7(2,3)6-4-8-9-5-6/h4-5,8H,6-7,9H2,1-3H3;4-6H,7H2,1-3H3,(H,13,14);2*4-8,13H,1-3H3;4-6H,7-8H2,1-3H3;2*4-7H,1-3H3,(H,12,13);4-8H,1-3H3;3*4-7H,1-3H3;5*4-6H,1-3H3;4-5H,1-3H3,(H,8,9)
InChIKeyZUKMHTZZGGRGJZ-UHFFFAOYSA-N
XLogP42.47
TPSA341.98 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds
Heavy Atoms193
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002611.84
LogP ≤ 542.47
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Analyze tert-butylbenzene;5-tert-butyl-1,3-dihydro-2-benzofuran;7-tert-butyl-1,4-dihydro-3,1-benzoxazin-2-one;6-tert-butyl-3,4-dihydro-1H-isochromene;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine with MolForge

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Launch Full Analysis

Related Compounds

1-[4-(1,1-difluoroethyl)-3-methyl-5H-1,2-oxazol-4-yl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-[(5-ethyl-8-fluoronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;N-[5-(2-methylpyrazol-3-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-(1,2,4-triazol-1-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 160378373
N-[5-(3,3-difluoroazetidin-1-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-[4-(1,1-difluoroethyl)-3-methyl-5H-1,2-oxazol-4-yl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;4-fluoro-1-(5-methyl-3-pyridinyl)-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)isoquinoline;N-[5-(2-methylpyrazol-3-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-(1,2,4-triazol-1-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 162122499
2-[3-[4-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-fluoro-3-pyridinyl)-2H-indazol-7-yl]-4-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]morpholine
CID 162575076
N,N-dimethyl-1-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]morpholin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]methanamine
CID 137099120
1-[6-(1H-imidazol-2-yl)-6-(1H-indazol-3-yl)-7-(1H-indol-2-yl)-8-(3H-indol-2-yl)-1-(2H-isoindol-1-yl)-4-isoquinolin-1-yl-1-(1,8-naphthyridin-2-yl)-5-(7H-purin-2-yl)-4-pyrazin-2-yl-5-(1H-pyrazol-3-yl)-2-pyridazin-3-yl-4a-pyridin-2-yl-3-pyrimidin-2-yl-7-(1H-pyrrol-2-yl)-8-(2H-pyrrol-2-yl)-3-quinolin-2-yl-8a-(9H-xanthen-9-yl)naphthalen-2-yl]phthalazine
CID 153529136
[5-[3-[4-[1-(3-hydroxypropyl)triazol-4-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-1-tritylindazol-5-yl]-3-pyridinyl]methyl N-methylcarbamate
CID 155070189
4-[6-[4-(4-Ethylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;methane;4-[6-[4-(4-methoxypiperidin-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[3-(4-methylphenyl)imidazo[1,5-a]pyrimidin-8-yl]quinoline;4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline;4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline
CID 157055910
2-(5-methoxy-3-pyridinyl)-4-propan-2-ylpyridine;1-methyl-5-(6-propan-2-ylpyrazin-2-yl)indazole;1-methyl-5-(4-propan-2-yl-2-pyridinyl)indazole;1-methyl-5-(5-propan-2-yl-3-pyridinyl)indazole;1-methyl-6-(4-propan-2-yl-2-pyridinyl)indazole;1-methyl-6-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,5-b]pyridine;1-methyl-5-(4-propan-2-ylpyrimidin-2-yl)indazole;1-methyl-5-(6-propan-2-ylpyrimidin-4-yl)indazole;5-(4-propan-2-yl-2-pyridinyl)-1H-indazole;5-(4-propan-2-yl-2-pyridinyl)-1H-pyrimidin-2-one;4-propan-2-yl-2-[3-(4H-triazol-5-yl)phenyl]pyridine
CID 157235746
CID 157287050
CID 157287050
4-cyclopenta-1,4-dien-1-yl-1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(2,4-dimethylimidazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,3,3-tetramethylfuro[3,4-c]pyrrol-5-yl)isoquinolin-6-amine
CID 157357350
13-(3,5-dimethylimidazol-4-yl)-5-methyl-10-[(S)-oxan-4-yl(phenyl)methyl]-4,5,10,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11(16),12,14-heptaene;bis(13-(3,5-dimethylimidazol-4-yl)-10-[(S)-oxan-4-yl(phenyl)methyl]-4,5,10,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11(16),12,14-heptaene);14-(3,5-dimethylimidazol-4-yl)-11-[(S)-oxan-4-yl(phenyl)methyl]-6,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaene;methane
CID 157475398
bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-isoindole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;2-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline
CID 157703252

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;5-tert-butyl-1,3-dihydro-2-benzofuran;7-tert-butyl-1,4-dihydro-3,1-benzoxazin-2-one;6-tert-butyl-3,4-dihydro-1H-isochromene;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine?
The IUPAC name of tert-butylbenzene;5-tert-butyl-1,3-dihydro-2-benzofuran;7-tert-butyl-1,4-dihydro-3,1-benzoxazin-2-one;6-tert-butyl-3,4-dihydro-1H-isochromene;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine (CID 162223265) is tert-butylbenzene;5-tert-butyl-1,3-dihydro-2-benzofuran;7-tert-butyl-1,4-dihydro-3,1-benzoxazin-2-one;6-tert-butyl-3,4-dihydro-1H-isochromene;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine.
What is the SMILES notation for tert-butylbenzene;5-tert-butyl-1,3-dihydro-2-benzofuran;7-tert-butyl-1,4-dihydro-3,1-benzoxazin-2-one;6-tert-butyl-3,4-dihydro-1H-isochromene;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine?
The canonical SMILES for tert-butylbenzene;5-tert-butyl-1,3-dihydro-2-benzofuran;7-tert-butyl-1,4-dihydro-3,1-benzoxazin-2-one;6-tert-butyl-3,4-dihydro-1H-isochromene;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine is CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(c1)CCOC2.CC(C)(C)c1ccc2c(c1)COC2.CC(C)(C)c1ccc2c(c1)NC(=O)OC2.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnn1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncn1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.CC(C)(C)c1ncccn1.
What is the InChIKey of tert-butylbenzene;5-tert-butyl-1,3-dihydro-2-benzofuran;7-tert-butyl-1,4-dihydro-3,1-benzoxazin-2-one;6-tert-butyl-3,4-dihydro-1H-isochromene;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine?
The InChIKey is ZUKMHTZZGGRGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O.C12H15NO2.2C12H15N.C12H16O.2C11H14N2.C10H14.3C9H13N.5C8H12N2.C7H12N2/c1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-12(2,3)9-5-4-8-7-15-11(14)13-10(8)6-9;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;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;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-5-4-6-9-10-7;1-7(2,3)6-4-8-9-5-6/h4-5,8H,6-7,9H2,1-3H3;4-6H,7H2,1-3H3,(H,13,14);2*4-8,13H,1-3H3;4-6H,7-8H2,1-3H3;2*4-7H,1-3H3,(H,12,13);4-8H,1-3H3;3*4-7H,1-3H3;5*4-6H,1-3H3;4-5H,1-3H3,(H,8,9).
What are the key properties of tert-butylbenzene;5-tert-butyl-1,3-dihydro-2-benzofuran;7-tert-butyl-1,4-dihydro-3,1-benzoxazin-2-one;6-tert-butyl-3,4-dihydro-1H-isochromene;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine?
tert-butylbenzene;5-tert-butyl-1,3-dihydro-2-benzofuran;7-tert-butyl-1,4-dihydro-3,1-benzoxazin-2-one;6-tert-butyl-3,4-dihydro-1H-isochromene;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine has a molecular weight of 2611.84 g/mol, XLogP of 42.47, 0 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;5-tert-butyl-1,3-dihydro-2-benzofuran;7-tert-butyl-1,4-dihydro-3,1-benzoxazin-2-one;6-tert-butyl-3,4-dihydro-1H-isochromene;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine is sourced from PubChem (CID 162223265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).