tert-butylbenzene;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;6-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydrofuro[2,3-b]pyridine;2-tert-butylfuran;3-tert-butylfuran;2-tert-butylfuro[2,3-b]pyridine;5-tert-butyl-3H-indole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthiophene

C172H231N13O7S2 — CID 157244516

IUPACtert-butylbenzene;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;6-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydrofuro[2,3-b]pyridine;2-tert-butylfuran;3-tert-butylfuran;2-tert-butylfuro[2,3-b]pyridine;5-tert-butyl-3H-indole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthiophene
SMILESCC(C)(C)C1=Cc2cccnc2C1.CC(C)(C)c1cc2cccnc2o1.CC(C)(C)c1cc2cccnc2s1.CC(C)(C)c1ccc2c(c1)CC=N2.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1ccc2ncoc2c1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccoc1.CC(C)(C)c1cnc2c(c1)CCC2.CC(C)(C)c1cnc2c(c1)CCO2.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1ncccn1
InChIInChI=1S/2C12H15N.C12H17N.C12H16O.C11H15NO.3C11H13NO.C11H13NS.C10H14.3C9H13N.C8H12N2.2C8H12O.C8H12S/c1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-7-9-5-4-6-13-11(9)8-10;1-12(2,3)10-7-9-5-4-6-11(9)13-8-10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-11(2,3)9-6-8-4-5-13-10(8)12-7-9;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;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)7-9-5-4-6-10-7;1-8(2,3)7-4-5-9-6-7;2*1-8(2,3)7-5-4-6-9-7/h4-5,7-8H,6H2,1-3H3;4-7H,8H2,1-3H3;7-8H,4-6H2,1-3H3;4-5,8H,6-7H2,1-3H3;6-7H,4-5H2,1-3H3;4*4-7H,1-3H3;4-8H,1-3H3;3*4-7H,1-3H3;4-6H,1-3H3;3*4-6H,1-3H3
InChIKeyAVPCOIPDMZNUJV-UHFFFAOYSA-N
MW2656.96 g/mol
LogP47.48
Rot. Bonds

About tert-butylbenzene;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;6-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydrofuro[2,3-b]pyridine;2-tert-butylfuran;3-tert-butylfuran;2-tert-butylfuro[2,3-b]pyridine;5-tert-butyl-3H-indole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthiophene

tert-butylbenzene;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;6-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydrofuro[2,3-b]pyridine;2-tert-butylfuran;3-tert-butylfuran;2-tert-butylfuro[2,3-b]pyridine;5-tert-butyl-3H-indole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthiophene (PubChem CID 157244516) has the molecular formula C172H231N13O7S2 and a molecular weight of 2656.96 g/mol. Its IUPAC name is tert-butylbenzene;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;6-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydrofuro[2,3-b]pyridine;2-tert-butylfuran;3-tert-butylfuran;2-tert-butylfuro[2,3-b]pyridine;5-tert-butyl-3H-indole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthiophene.

Molecular Properties

Compound Nametert-butylbenzene;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;6-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydrofuro[2,3-b]pyridine;2-tert-butylfuran;3-tert-butylfuran;2-tert-butylfuro[2,3-b]pyridine;5-tert-butyl-3H-indole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthiophene
PubChem CID157244516
Molecular FormulaC172H231N13O7S2
Molecular Weight2656.96 g/mol
Exact Mass2654.76
IUPAC Nametert-butylbenzene;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;6-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydrofuro[2,3-b]pyridine;2-tert-butylfuran;3-tert-butylfuran;2-tert-butylfuro[2,3-b]pyridine;5-tert-butyl-3H-indole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthiophene
SMILESCC(C)(C)C1=Cc2cccnc2C1.CC(C)(C)c1cc2cccnc2o1.CC(C)(C)c1cc2cccnc2s1.CC(C)(C)c1ccc2c(c1)CC=N2.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1ccc2ncoc2c1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccoc1.CC(C)(C)c1cnc2c(c1)CCC2.CC(C)(C)c1cnc2c(c1)CCO2.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1ncccn1
InChIInChI=1S/2C12H15N.C12H17N.C12H16O.C11H15NO.3C11H13NO.C11H13NS.C10H14.3C9H13N.C8H12N2.2C8H12O.C8H12S/c1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-7-9-5-4-6-13-11(9)8-10;1-12(2,3)10-7-9-5-4-6-11(9)13-8-10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-11(2,3)9-6-8-4-5-13-10(8)12-7-9;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;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)7-9-5-4-6-10-7;1-8(2,3)7-4-5-9-6-7;2*1-8(2,3)7-5-4-6-9-7/h4-5,7-8H,6H2,1-3H3;4-7H,8H2,1-3H3;7-8H,4-6H2,1-3H3;4-5,8H,6-7H2,1-3H3;6-7H,4-5H2,1-3H3;4*4-7H,1-3H3;4-8H,1-3H3;3*4-7H,1-3H3;4-6H,1-3H3;3*4-6H,1-3H3
InChIKeyAVPCOIPDMZNUJV-UHFFFAOYSA-N
XLogP47.48
TPSA251.20 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds
Heavy Atoms194
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002656.96
LogP ≤ 547.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze tert-butylbenzene;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;6-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydrofuro[2,3-b]pyridine;2-tert-butylfuran;3-tert-butylfuran;2-tert-butylfuro[2,3-b]pyridine;5-tert-butyl-3H-indole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthiophene with MolForge

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Launch Full Analysis

Related Compounds

2-Amino-5-[2-fluoro-5-(furan-3-yl)phenyl]-3-methyl-5-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(2-methylpyrimidin-5-yl)phenyl]-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,3-oxazol-4-yl)phenyl]-3-methyl-5-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,3-oxazol-5-yl)phenyl]-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,3-thiazol-5-yl)phenyl]-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-5-(2-fluoro-5-thiophen-3-ylphenyl)-3-methyl-5-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-one
CID 158760585
6-[4-(1,1-Difluoroethoxy)phenyl]-1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzothiazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzoxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-oxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-thiazole
CID 160592384
2-Amino-5-[3-(furan-3-yl)phenyl]-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(2-methylpyrimidin-5-yl)phenyl]-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(1,3-oxazol-4-yl)phenyl]-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(1,3-oxazol-5-yl)phenyl]-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(1,3-thiazol-5-yl)phenyl]-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-thiophen-3-ylphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one
CID 161609887
6-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methyl-4-pyridinyl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzoxazole;6-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methylpyrimidin-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzoxazole;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-[6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)pyridazin-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 162167198
9-(4,6-Diphenyl-1,3,5-triazin-2-yl)-6-[9-[4-[4-[4-phenyl-6-[2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-d]pyrimidin-4-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazol-3-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 139418366
4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-6-[9-phenyl-6-[4-[4-phenyl-6-[6-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]pyridin-4-yl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-[1]benzofuro[2,3-b]pyridine
CID 155039363
CID 157061310
CID 157061310
2-[6-(1,3-Benzothiazol-2-yl)-3,8-bis(9,9-dimethylacridin-10-yl)phenanthren-1-yl]-1,3-benzothiazole;2-[6-(1,3-benzoxazol-2-yl)-3,8-bis(9,9-dimethylacridin-10-yl)phenanthren-1-yl]-1,3-benzoxazole;2-[1,6-bis(9,9-dimethylacridin-10-yl)-8-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenanthren-3-yl]-[1,3]oxazolo[5,4-b]pyridine;10-[6-(9,9-dimethylacridin-10-yl)-3,8-bis(1-phenylbenzimidazol-2-yl)phenanthren-1-yl]-9,9-dimethylacridine
CID 157063066
2-Methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;1-methylnaphthalene;2-methyl-1-phenylindole;bis(2-methyl-5-phenylpyrimidine);5-methyl-2-phenylpyrimidine;2-methylpyridine;3-methylpyridine;5-methyl-2-pyridin-4-ylpyrimidine;2-methylpyrimidine;1-methylpyrrolo[2,3-b]pyridine;6-methylquinoline;2-methyl-1,3,5-triazine;toluene
CID 157075084
2,4-Dimethyl-7-(4-methylphenyl)-3a,7a-dihydro-1,3-benzoxazole;ethane;2-methyl-6-(4-methylphenyl)-1,3-benzoxazole;2-methyl-5-(4-methylphenyl)furan;3-methyl-1-(4-methylphenyl)pyrazole;2-methyl-5-(4-methylphenyl)pyrimidine;5-methyl-2-(4-methylphenyl)pyrimidine;4-methyl-2-(4-methylphenyl)-1,3-thiazole;5-methyl-2-(4-methylphenyl)-1,3-thiazole;2-methyl-5-(4-methylphenyl)thiophene;2,3,6-trimethyl-5-(4-methylphenyl)thieno[3,2-b]thiophene
CID 157136221
3,9-dimethylcarbazole;3,5-dimethyl-2H-1,3-oxazole;1-methoxy-4-methylbenzene;2-methyl-1H-benzimidazole;2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;4-methyl-2H-imidazole;2-methyl-1H-indole;3-methyl-1H-indole;2-methylisoindole;1-methylnaphthalene;2-methylpyrimidine;5-methylpyrimidine;6-methylpyrrolo[3,4-b]pyrazine;bis(6-methylpyrrolo[3,4-b]pyridine);2-methylpyrrolo[3,4-c]pyridine;2-methylquinazoline;2-methylquinoxaline;2-methyl-4,5,6,7-tetrahydroisoindole;N,N,4-trimethylaniline
CID 157161544
Bis(2,4-dimethyl-[1]benzothiolo[3,2-d]pyrimidine);7-methyl-[1]benzofuro[3,2-b]pyridine;4-methyl-[1]benzothiolo[3,2-b]pyridine;4-methyl-2-(4-methylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-8-phenyl-[1]benzofuro[3,2-b]pyridine;4-methyl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 157184295

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;6-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydrofuro[2,3-b]pyridine;2-tert-butylfuran;3-tert-butylfuran;2-tert-butylfuro[2,3-b]pyridine;5-tert-butyl-3H-indole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthiophene?
The IUPAC name of tert-butylbenzene;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;6-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydrofuro[2,3-b]pyridine;2-tert-butylfuran;3-tert-butylfuran;2-tert-butylfuro[2,3-b]pyridine;5-tert-butyl-3H-indole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthiophene (CID 157244516) is tert-butylbenzene;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;6-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydrofuro[2,3-b]pyridine;2-tert-butylfuran;3-tert-butylfuran;2-tert-butylfuro[2,3-b]pyridine;5-tert-butyl-3H-indole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthiophene.
What is the SMILES notation for tert-butylbenzene;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;6-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydrofuro[2,3-b]pyridine;2-tert-butylfuran;3-tert-butylfuran;2-tert-butylfuro[2,3-b]pyridine;5-tert-butyl-3H-indole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthiophene?
The canonical SMILES for tert-butylbenzene;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;6-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydrofuro[2,3-b]pyridine;2-tert-butylfuran;3-tert-butylfuran;2-tert-butylfuro[2,3-b]pyridine;5-tert-butyl-3H-indole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthiophene is CC(C)(C)C1=Cc2cccnc2C1.CC(C)(C)c1cc2cccnc2o1.CC(C)(C)c1cc2cccnc2s1.CC(C)(C)c1ccc2c(c1)CC=N2.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1ccc2ncoc2c1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccoc1.CC(C)(C)c1cnc2c(c1)CCC2.CC(C)(C)c1cnc2c(c1)CCO2.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1ncccn1.
What is the InChIKey of tert-butylbenzene;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;6-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydrofuro[2,3-b]pyridine;2-tert-butylfuran;3-tert-butylfuran;2-tert-butylfuro[2,3-b]pyridine;5-tert-butyl-3H-indole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthiophene?
The InChIKey is AVPCOIPDMZNUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H15N.C12H17N.C12H16O.C11H15NO.3C11H13NO.C11H13NS.C10H14.3C9H13N.C8H12N2.2C8H12O.C8H12S/c1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-7-9-5-4-6-13-11(9)8-10;1-12(2,3)10-7-9-5-4-6-11(9)13-8-10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-11(2,3)9-6-8-4-5-13-10(8)12-7-9;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;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)7-9-5-4-6-10-7;1-8(2,3)7-4-5-9-6-7;2*1-8(2,3)7-5-4-6-9-7/h4-5,7-8H,6H2,1-3H3;4-7H,8H2,1-3H3;7-8H,4-6H2,1-3H3;4-5,8H,6-7H2,1-3H3;6-7H,4-5H2,1-3H3;4*4-7H,1-3H3;4-8H,1-3H3;3*4-7H,1-3H3;4-6H,1-3H3;3*4-6H,1-3H3.
What are the key properties of tert-butylbenzene;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;6-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydrofuro[2,3-b]pyridine;2-tert-butylfuran;3-tert-butylfuran;2-tert-butylfuro[2,3-b]pyridine;5-tert-butyl-3H-indole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthiophene?
tert-butylbenzene;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;6-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydrofuro[2,3-b]pyridine;2-tert-butylfuran;3-tert-butylfuran;2-tert-butylfuro[2,3-b]pyridine;5-tert-butyl-3H-indole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthiophene has a molecular weight of 2656.96 g/mol, XLogP of 47.48, 0 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;6-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydrofuro[2,3-b]pyridine;2-tert-butylfuran;3-tert-butylfuran;2-tert-butylfuro[2,3-b]pyridine;5-tert-butyl-3H-indole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthiophene is sourced from PubChem (CID 157244516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).