1-tert-butyl-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,2-diphenyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;9-phenyl-3-propan-2-ylcarbazole;2-propan-2-ylanthracene;2-propan-2-ylfuran;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-ylthiophene;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene;1,2,4,5-tetramethyl-3-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene;trimethyl-(4-propan-2-ylphenyl)silane

C279H358F4N16OSSi — CID 162115337

IUPAC1-tert-butyl-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,2-diphenyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;9-phenyl-3-propan-2-ylcarbazole;2-propan-2-ylanthracene;2-propan-2-ylfuran;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-ylthiophene;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene;1,2,4,5-tetramethyl-3-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene;trimethyl-(4-propan-2-ylphenyl)silane
SMILESCC(C)c1ccc(-c2ccccc2)c(-c2ccccc2)c1.CC(C)c1ccc(C(C)(C)C)cc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc([Si](C)(C)C)cc1.CC(C)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.CC(C)c1ccc2cc3ccccc3cc2c1.CC(C)c1ccc2ccccc2n1.CC(C)c1cccc2cccnc12.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1cnccn1.CC(C)c1ncccn1.CC(C)c1ncncn1.Cc1cc(C(C)C)cc(C)c1C.Cc1cc(C)c(C)c(C(C)C)c1C.Cc1cc(C)cc(C(C)C)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1C.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C.[C-]#[N+]c1ccc(C(C)C)cc1
InChIInChI=1S/C21H19N.C21H20.C17H16.2C13H20.2C12H13N.C12H20Si.C12H18.2C11H16.C10H11F3.C10H11N.3C10H14.C9H11F.3C8H11N.3C7H10N2.C7H10O.C7H10S.C6H9N3/c1-15(2)16-12-13-21-19(14-16)18-10-6-7-11-20(18)22(21)17-8-4-3-5-9-17;1-16(2)19-13-14-20(17-9-5-3-6-10-17)21(15-19)18-11-7-4-8-12-18;1-12(2)13-7-8-16-10-14-5-3-4-6-15(14)11-17(16)9-13;1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-8(2)13-11(5)9(3)7-10(4)12(13)6;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-8(2)12-6-9(3)11(5)10(4)7-12;1-8(2)11-6-9(3)5-10(4)7-11;1-8(2)11-6-5-9(3)10(4)7-11;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;2*1-6(2)7-4-3-5-8-7;1-5(2)6-8-3-7-4-9-6/h3-15H,1-2H3;3-16H,1-2H3;3-12H,1-2H3;6-10H,1-5H3;7-8H,1-6H3;2*3-9H,1-2H3;6-10H,1-5H3;6-8H,1-5H3;2*5-8H,1-4H3;3-7H,1-2H3;4-8H,1-2H3;3*4-8H,1-3H3;3-7H,1-2H3;3*3-7H,1-2H3;3*3-6H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3
InChIKeyZGRPFXSRPSQLOV-UHFFFAOYSA-N
MW4088.19 g/mol
LogP83.16
Rot. Bonds30

About 1-tert-butyl-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,2-diphenyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;9-phenyl-3-propan-2-ylcarbazole;2-propan-2-ylanthracene;2-propan-2-ylfuran;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-ylthiophene;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene;1,2,4,5-tetramethyl-3-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene;trimethyl-(4-propan-2-ylphenyl)silane

1-tert-butyl-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,2-diphenyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;9-phenyl-3-propan-2-ylcarbazole;2-propan-2-ylanthracene;2-propan-2-ylfuran;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-ylthiophene;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene;1,2,4,5-tetramethyl-3-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene;trimethyl-(4-propan-2-ylphenyl)silane (PubChem CID 162115337) has the molecular formula C279H358F4N16OSSi and a molecular weight of 4088.19 g/mol. Its IUPAC name is 1-tert-butyl-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,2-diphenyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;9-phenyl-3-propan-2-ylcarbazole;2-propan-2-ylanthracene;2-propan-2-ylfuran;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-ylthiophene;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene;1,2,4,5-tetramethyl-3-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene;trimethyl-(4-propan-2-ylphenyl)silane.

Molecular Properties

Compound Name1-tert-butyl-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,2-diphenyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;9-phenyl-3-propan-2-ylcarbazole;2-propan-2-ylanthracene;2-propan-2-ylfuran;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-ylthiophene;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene;1,2,4,5-tetramethyl-3-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene;trimethyl-(4-propan-2-ylphenyl)silane
PubChem CID162115337
Molecular FormulaC279H358F4N16OSSi
Molecular Weight4088.19 g/mol
Exact Mass4084.79
IUPAC Name1-tert-butyl-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,2-diphenyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;9-phenyl-3-propan-2-ylcarbazole;2-propan-2-ylanthracene;2-propan-2-ylfuran;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-ylthiophene;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene;1,2,4,5-tetramethyl-3-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene;trimethyl-(4-propan-2-ylphenyl)silane
SMILESCC(C)c1ccc(-c2ccccc2)c(-c2ccccc2)c1.CC(C)c1ccc(C(C)(C)C)cc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc([Si](C)(C)C)cc1.CC(C)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.CC(C)c1ccc2cc3ccccc3cc2c1.CC(C)c1ccc2ccccc2n1.CC(C)c1cccc2cccnc12.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1cnccn1.CC(C)c1ncccn1.CC(C)c1ncncn1.Cc1cc(C(C)C)cc(C)c1C.Cc1cc(C)c(C)c(C(C)C)c1C.Cc1cc(C)cc(C(C)C)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1C.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C.[C-]#[N+]c1ccc(C(C)C)cc1
InChIInChI=1S/C21H19N.C21H20.C17H16.2C13H20.2C12H13N.C12H20Si.C12H18.2C11H16.C10H11F3.C10H11N.3C10H14.C9H11F.3C8H11N.3C7H10N2.C7H10O.C7H10S.C6H9N3/c1-15(2)16-12-13-21-19(14-16)18-10-6-7-11-20(18)22(21)17-8-4-3-5-9-17;1-16(2)19-13-14-20(17-9-5-3-6-10-17)21(15-19)18-11-7-4-8-12-18;1-12(2)13-7-8-16-10-14-5-3-4-6-15(14)11-17(16)9-13;1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-8(2)13-11(5)9(3)7-10(4)12(13)6;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-8(2)12-6-9(3)11(5)10(4)7-12;1-8(2)11-6-9(3)5-10(4)7-11;1-8(2)11-6-5-9(3)10(4)7-11;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;2*1-6(2)7-4-3-5-8-7;1-5(2)6-8-3-7-4-9-6/h3-15H,1-2H3;3-16H,1-2H3;3-12H,1-2H3;6-10H,1-5H3;7-8H,1-6H3;2*3-9H,1-2H3;6-10H,1-5H3;6-8H,1-5H3;2*5-8H,1-4H3;3-7H,1-2H3;4-8H,1-2H3;3*4-8H,1-3H3;3-7H,1-2H3;3*3-7H,1-2H3;3*3-6H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3
InChIKeyZGRPFXSRPSQLOV-UHFFFAOYSA-N
XLogP83.16
TPSA202.89 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds30
Heavy Atoms302
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004088.19
LogP ≤ 583.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 1-tert-butyl-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,2-diphenyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;9-phenyl-3-propan-2-ylcarbazole;2-propan-2-ylanthracene;2-propan-2-ylfuran;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-ylthiophene;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene;1,2,4,5-tetramethyl-3-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene;trimethyl-(4-propan-2-ylphenyl)silane with MolForge

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Related Compounds

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6-(1-tert-butylcyclopropyl)-1H-benzimidazole;6-(1-tert-butylcyclopropyl)cinnoline;3-(1-tert-butylcyclopropyl)-5-fluoropyridine;5-(1-tert-butylcyclopropyl)-1H-indazole;(1-tert-butylcyclopropyl)methylbenzene;7-[(1-tert-butylcyclopropyl)methyl]cinnoline;2-[(1-tert-butylcyclopropyl)methyl]-5-fluoropyridine;2-[(1-tert-butylcyclopropyl)methyl]furan;6-[(1-tert-butylcyclopropyl)methyl]-1-methylbenzimidazole;4-[(1-tert-butylcyclopropyl)methyl]pyridazine;2-[(1-tert-butylcyclopropyl)methyl]pyridine;3-[(1-tert-butylcyclopropyl)methyl]pyridine;4-[(1-tert-butylcyclopropyl)methyl]pyridine;6-[(1-tert-butylcyclopropyl)methyl]quinoline;bis(6-[(1-tert-butylcyclopropyl)methyl]quinoxaline);2-[(1-tert-butylcyclopropyl)methyl]thiophene;2-[(1-tert-butylcyclopropyl)methyl]-5-(trifluoromethyl)pyridine;7-(1-tert-butylcyclopropyl)quinoline;6-(1-tert-butylcyclopropyl)quinoxaline
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1-benzyl-4-tert-butylpyrazole;2-tert-butyl-1-benzofuran;2-tert-butyl-1-benzothiophene;tert-butylcyclohexane;6-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-2,3-dihydro-1H-indene;5-tert-butyl-1H-indene;4-tert-butylisoquinoline;1-tert-butyl-4-methylcyclohexane;4-tert-butyl-1-(2-methylpropyl)pyrazole;3-tert-butyl-1-methylpyrrole;2-tert-butyl-4-methylthiophene;1-tert-butylpiperidine;5-tert-butylpyrimidine;tetrakis(2,2-dimethylpropane);furan;naphthalene;quinoline;thiophene
CID 157374476
2,5-Dimethylfuran;1,3-dimethylisoquinoline;2,7-dimethylphenanthrene;2,6-dimethylpyrazine;2,4-dimethylpyrimidine;4,6-dimethylpyrimidine;2,4-dimethylquinazoline;2,5-dimethylthiophene;ethane;2,4,6-trimethyl-1,3,5-triazine
CID 157484231
9-Methylacridine;2-methylfuran;5-methyl-1-phenylpyrazole;2-methyl-1-phenylpyrrole;2-methylthiophene;1,3,6-trimethylisoquinoline;1,3,7-trimethylisoquinoline;2,4,5-trimethyl-1-phenylimidazole;2,4,7-trimethylquinoline
CID 158048030

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,2-diphenyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;9-phenyl-3-propan-2-ylcarbazole;2-propan-2-ylanthracene;2-propan-2-ylfuran;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-ylthiophene;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene;1,2,4,5-tetramethyl-3-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene;trimethyl-(4-propan-2-ylphenyl)silane?
The IUPAC name of 1-tert-butyl-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,2-diphenyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;9-phenyl-3-propan-2-ylcarbazole;2-propan-2-ylanthracene;2-propan-2-ylfuran;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-ylthiophene;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene;1,2,4,5-tetramethyl-3-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene;trimethyl-(4-propan-2-ylphenyl)silane (CID 162115337) is 1-tert-butyl-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,2-diphenyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;9-phenyl-3-propan-2-ylcarbazole;2-propan-2-ylanthracene;2-propan-2-ylfuran;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-ylthiophene;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene;1,2,4,5-tetramethyl-3-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene;trimethyl-(4-propan-2-ylphenyl)silane.
What is the SMILES notation for 1-tert-butyl-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,2-diphenyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;9-phenyl-3-propan-2-ylcarbazole;2-propan-2-ylanthracene;2-propan-2-ylfuran;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-ylthiophene;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene;1,2,4,5-tetramethyl-3-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene;trimethyl-(4-propan-2-ylphenyl)silane?
The canonical SMILES for 1-tert-butyl-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,2-diphenyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;9-phenyl-3-propan-2-ylcarbazole;2-propan-2-ylanthracene;2-propan-2-ylfuran;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-ylthiophene;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene;1,2,4,5-tetramethyl-3-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene;trimethyl-(4-propan-2-ylphenyl)silane is CC(C)c1ccc(-c2ccccc2)c(-c2ccccc2)c1.CC(C)c1ccc(C(C)(C)C)cc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc([Si](C)(C)C)cc1.CC(C)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.CC(C)c1ccc2cc3ccccc3cc2c1.CC(C)c1ccc2ccccc2n1.CC(C)c1cccc2cccnc12.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1cnccn1.CC(C)c1ncccn1.CC(C)c1ncncn1.Cc1cc(C(C)C)cc(C)c1C.Cc1cc(C)c(C)c(C(C)C)c1C.Cc1cc(C)cc(C(C)C)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1C.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C.[C-]#[N+]c1ccc(C(C)C)cc1.
What is the InChIKey of 1-tert-butyl-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,2-diphenyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;9-phenyl-3-propan-2-ylcarbazole;2-propan-2-ylanthracene;2-propan-2-ylfuran;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-ylthiophene;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene;1,2,4,5-tetramethyl-3-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene;trimethyl-(4-propan-2-ylphenyl)silane?
The InChIKey is ZGRPFXSRPSQLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N.C21H20.C17H16.2C13H20.2C12H13N.C12H20Si.C12H18.2C11H16.C10H11F3.C10H11N.3C10H14.C9H11F.3C8H11N.3C7H10N2.C7H10O.C7H10S.C6H9N3/c1-15(2)16-12-13-21-19(14-16)18-10-6-7-11-20(18)22(21)17-8-4-3-5-9-17;1-16(2)19-13-14-20(17-9-5-3-6-10-17)21(15-19)18-11-7-4-8-12-18;1-12(2)13-7-8-16-10-14-5-3-4-6-15(14)11-17(16)9-13;1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-8(2)13-11(5)9(3)7-10(4)12(13)6;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-8(2)12-6-9(3)11(5)10(4)7-12;1-8(2)11-6-9(3)5-10(4)7-11;1-8(2)11-6-5-9(3)10(4)7-11;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;2*1-6(2)7-4-3-5-8-7;1-5(2)6-8-3-7-4-9-6/h3-15H,1-2H3;3-16H,1-2H3;3-12H,1-2H3;6-10H,1-5H3;7-8H,1-6H3;2*3-9H,1-2H3;6-10H,1-5H3;6-8H,1-5H3;2*5-8H,1-4H3;3-7H,1-2H3;4-8H,1-2H3;3*4-8H,1-3H3;3-7H,1-2H3;3*3-7H,1-2H3;3*3-6H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3.
What are the key properties of 1-tert-butyl-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,2-diphenyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;9-phenyl-3-propan-2-ylcarbazole;2-propan-2-ylanthracene;2-propan-2-ylfuran;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-ylthiophene;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene;1,2,4,5-tetramethyl-3-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene;trimethyl-(4-propan-2-ylphenyl)silane?
1-tert-butyl-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,2-diphenyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;9-phenyl-3-propan-2-ylcarbazole;2-propan-2-ylanthracene;2-propan-2-ylfuran;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-ylthiophene;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene;1,2,4,5-tetramethyl-3-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene;trimethyl-(4-propan-2-ylphenyl)silane has a molecular weight of 4088.19 g/mol, XLogP of 83.16, 30 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,2-diphenyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;9-phenyl-3-propan-2-ylcarbazole;2-propan-2-ylanthracene;2-propan-2-ylfuran;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-ylthiophene;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene;1,2,4,5-tetramethyl-3-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene;trimethyl-(4-propan-2-ylphenyl)silane is sourced from PubChem (CID 162115337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).