1-tert-butyl-4-chloro-2-methylbenzene;2-tert-butyl-5-chloro-3-methylthiophene;2-tert-butyl-3-chlorothiophene;2-tert-butyl-5-chlorothiophene;2-tert-butyl-1,5-difluoro-3-methylbenzene;bis(1-tert-butyl-2,4-dimethylbenzene);5-tert-butyl-1,2-dimethylimidazole;3-tert-butyl-2,6-dimethylpyridine;4-tert-butyl-2,5-dimethyl-3H-pyrrole;2-tert-butyl-4,5-dimethyl-1,3-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;tris(1-tert-butyl-4-fluoro-2-methylbenzene);5-tert-butyl-2-methyl-1H-imidazole;2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-4-methyl-1,3-thiazol-2-amine;2-tert-butyl-5-methyl-1,3-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-3-methylthiophene;2-tert-butyl-5-methylthiophene;methane

C234H360Cl4F5N15S10 — CID 159582164

IUPAC1-tert-butyl-4-chloro-2-methylbenzene;2-tert-butyl-5-chloro-3-methylthiophene;2-tert-butyl-3-chlorothiophene;2-tert-butyl-5-chlorothiophene;2-tert-butyl-1,5-difluoro-3-methylbenzene;bis(1-tert-butyl-2,4-dimethylbenzene);5-tert-butyl-1,2-dimethylimidazole;3-tert-butyl-2,6-dimethylpyridine;4-tert-butyl-2,5-dimethyl-3H-pyrrole;2-tert-butyl-4,5-dimethyl-1,3-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;tris(1-tert-butyl-4-fluoro-2-methylbenzene);5-tert-butyl-2-methyl-1H-imidazole;2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-4-methyl-1,3-thiazol-2-amine;2-tert-butyl-5-methyl-1,3-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-3-methylthiophene;2-tert-butyl-5-methylthiophene;methane
SMILESC.C.CC(C)(C)c1ccc(Cl)s1.CC(C)(C)c1sccc1Cl.CC1=NC(C)=C(C(C)(C)C)C1.Cc1cc(Cl)ccc1C(C)(C)C.Cc1cc(Cl)sc1C(C)(C)C.Cc1cc(F)cc(F)c1C(C)(C)C.Cc1cc(F)ccc1C(C)(C)C.Cc1cc(F)ccc1C(C)(C)C.Cc1cc(F)ccc1C(C)(C)C.Cc1ccc(C(C)(C)C)c(C)c1.Cc1ccc(C(C)(C)C)c(C)c1.Cc1ccc(C(C)(C)C)c(C)n1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)s1.Cc1cccnc1C(C)(C)C.Cc1ccsc1C(C)(C)C.Cc1cnc(C(C)(C)C)s1.Cc1nc(C(C)(C)C)sc1C.Cc1nc(C)c(C(C)(C)C)s1.Cc1nc(N)sc1C(C)(C)C.Cc1ncc(C(C)(C)C)[nH]1.Cc1ncc(C(C)(C)C)n1C.Cc1ncc(C(C)(C)C)s1.Cc1ncccc1C(C)(C)C
InChIInChI=1S/2C12H18.C11H15Cl.C11H14F2.3C11H15F.C11H17N.C10H17N.3C10H15N.C9H13ClS.C9H16N2.2C9H15NS.2C9H14S.2C8H11ClS.C8H14N2S.C8H14N2.2C8H13NS.2CH4/c2*1-9-6-7-11(10(2)8-9)12(3,4)5;1-8-7-9(12)5-6-10(8)11(2,3)4;1-7-5-8(12)6-9(13)10(7)11(2,3)4;3*1-8-7-9(12)5-6-10(8)11(2,3)4;1-8-6-7-10(9(2)12-8)11(3,4)5;1-7-6-9(8(2)11-7)10(3,4)5;1-8-5-6-9(7-11-8)10(2,3)4;1-8-9(10(2,3)4)6-5-7-11-8;1-8-6-5-7-11-9(8)10(2,3)4;1-6-5-7(10)11-8(6)9(2,3)4;1-7-10-6-8(11(7)5)9(2,3)4;1-6-8(9(3,4)5)11-7(2)10-6;1-6-7(2)11-8(10-6)9(3,4)5;1-7-5-6-10-8(7)9(2,3)4;1-7-5-6-8(10-7)9(2,3)4;1-8(2,3)7-6(9)4-5-10-7;1-8(2,3)6-4-5-7(9)10-6;1-5-6(8(2,3)4)11-7(9)10-5;2*1-6-9-5-7(10-6)8(2,3)4;1-6-5-9-7(10-6)8(2,3)4;;/h2*6-8H,1-5H3;5-7H,1-4H3;5-6H,1-4H3;3*5-7H,1-4H3;6-7H,1-5H3;6H2,1-5H3;3*5-7H,1-4H3;5H,1-4H3;6H,1-5H3;2*1-5H3;2*5-6H,1-4H3;2*4-5H,1-3H3;1-4H3,(H2,9,10);5H,1-4H3,(H,9,10);2*5H,1-4H3;2*1H4
InChIKeyMJDRROAVOSDUTL-UHFFFAOYSA-N
MW3941.03 g/mol
LogP76.61
Rot. Bonds

About 1-tert-butyl-4-chloro-2-methylbenzene;2-tert-butyl-5-chloro-3-methylthiophene;2-tert-butyl-3-chlorothiophene;2-tert-butyl-5-chlorothiophene;2-tert-butyl-1,5-difluoro-3-methylbenzene;bis(1-tert-butyl-2,4-dimethylbenzene);5-tert-butyl-1,2-dimethylimidazole;3-tert-butyl-2,6-dimethylpyridine;4-tert-butyl-2,5-dimethyl-3H-pyrrole;2-tert-butyl-4,5-dimethyl-1,3-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;tris(1-tert-butyl-4-fluoro-2-methylbenzene);5-tert-butyl-2-methyl-1H-imidazole;2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-4-methyl-1,3-thiazol-2-amine;2-tert-butyl-5-methyl-1,3-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-3-methylthiophene;2-tert-butyl-5-methylthiophene;methane

1-tert-butyl-4-chloro-2-methylbenzene;2-tert-butyl-5-chloro-3-methylthiophene;2-tert-butyl-3-chlorothiophene;2-tert-butyl-5-chlorothiophene;2-tert-butyl-1,5-difluoro-3-methylbenzene;bis(1-tert-butyl-2,4-dimethylbenzene);5-tert-butyl-1,2-dimethylimidazole;3-tert-butyl-2,6-dimethylpyridine;4-tert-butyl-2,5-dimethyl-3H-pyrrole;2-tert-butyl-4,5-dimethyl-1,3-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;tris(1-tert-butyl-4-fluoro-2-methylbenzene);5-tert-butyl-2-methyl-1H-imidazole;2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-4-methyl-1,3-thiazol-2-amine;2-tert-butyl-5-methyl-1,3-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-3-methylthiophene;2-tert-butyl-5-methylthiophene;methane (PubChem CID 159582164) has the molecular formula C234H360Cl4F5N15S10 and a molecular weight of 3941.03 g/mol. Its IUPAC name is 1-tert-butyl-4-chloro-2-methylbenzene;2-tert-butyl-5-chloro-3-methylthiophene;2-tert-butyl-3-chlorothiophene;2-tert-butyl-5-chlorothiophene;2-tert-butyl-1,5-difluoro-3-methylbenzene;bis(1-tert-butyl-2,4-dimethylbenzene);5-tert-butyl-1,2-dimethylimidazole;3-tert-butyl-2,6-dimethylpyridine;4-tert-butyl-2,5-dimethyl-3H-pyrrole;2-tert-butyl-4,5-dimethyl-1,3-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;tris(1-tert-butyl-4-fluoro-2-methylbenzene);5-tert-butyl-2-methyl-1H-imidazole;2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-4-methyl-1,3-thiazol-2-amine;2-tert-butyl-5-methyl-1,3-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-3-methylthiophene;2-tert-butyl-5-methylthiophene;methane.

Molecular Properties

Compound Name1-tert-butyl-4-chloro-2-methylbenzene;2-tert-butyl-5-chloro-3-methylthiophene;2-tert-butyl-3-chlorothiophene;2-tert-butyl-5-chlorothiophene;2-tert-butyl-1,5-difluoro-3-methylbenzene;bis(1-tert-butyl-2,4-dimethylbenzene);5-tert-butyl-1,2-dimethylimidazole;3-tert-butyl-2,6-dimethylpyridine;4-tert-butyl-2,5-dimethyl-3H-pyrrole;2-tert-butyl-4,5-dimethyl-1,3-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;tris(1-tert-butyl-4-fluoro-2-methylbenzene);5-tert-butyl-2-methyl-1H-imidazole;2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-4-methyl-1,3-thiazol-2-amine;2-tert-butyl-5-methyl-1,3-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-3-methylthiophene;2-tert-butyl-5-methylthiophene;methane
PubChem CID159582164
Molecular FormulaC234H360Cl4F5N15S10
Molecular Weight3941.03 g/mol
Exact Mass3935.45
IUPAC Name1-tert-butyl-4-chloro-2-methylbenzene;2-tert-butyl-5-chloro-3-methylthiophene;2-tert-butyl-3-chlorothiophene;2-tert-butyl-5-chlorothiophene;2-tert-butyl-1,5-difluoro-3-methylbenzene;bis(1-tert-butyl-2,4-dimethylbenzene);5-tert-butyl-1,2-dimethylimidazole;3-tert-butyl-2,6-dimethylpyridine;4-tert-butyl-2,5-dimethyl-3H-pyrrole;2-tert-butyl-4,5-dimethyl-1,3-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;tris(1-tert-butyl-4-fluoro-2-methylbenzene);5-tert-butyl-2-methyl-1H-imidazole;2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-4-methyl-1,3-thiazol-2-amine;2-tert-butyl-5-methyl-1,3-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-3-methylthiophene;2-tert-butyl-5-methylthiophene;methane
SMILESC.C.CC(C)(C)c1ccc(Cl)s1.CC(C)(C)c1sccc1Cl.CC1=NC(C)=C(C(C)(C)C)C1.Cc1cc(Cl)ccc1C(C)(C)C.Cc1cc(Cl)sc1C(C)(C)C.Cc1cc(F)cc(F)c1C(C)(C)C.Cc1cc(F)ccc1C(C)(C)C.Cc1cc(F)ccc1C(C)(C)C.Cc1cc(F)ccc1C(C)(C)C.Cc1ccc(C(C)(C)C)c(C)c1.Cc1ccc(C(C)(C)C)c(C)c1.Cc1ccc(C(C)(C)C)c(C)n1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)s1.Cc1cccnc1C(C)(C)C.Cc1ccsc1C(C)(C)C.Cc1cnc(C(C)(C)C)s1.Cc1nc(C(C)(C)C)sc1C.Cc1nc(C)c(C(C)(C)C)s1.Cc1nc(N)sc1C(C)(C)C.Cc1ncc(C(C)(C)C)[nH]1.Cc1ncc(C(C)(C)C)n1C.Cc1ncc(C(C)(C)C)s1.Cc1ncccc1C(C)(C)C
InChIInChI=1S/2C12H18.C11H15Cl.C11H14F2.3C11H15F.C11H17N.C10H17N.3C10H15N.C9H13ClS.C9H16N2.2C9H15NS.2C9H14S.2C8H11ClS.C8H14N2S.C8H14N2.2C8H13NS.2CH4/c2*1-9-6-7-11(10(2)8-9)12(3,4)5;1-8-7-9(12)5-6-10(8)11(2,3)4;1-7-5-8(12)6-9(13)10(7)11(2,3)4;3*1-8-7-9(12)5-6-10(8)11(2,3)4;1-8-6-7-10(9(2)12-8)11(3,4)5;1-7-6-9(8(2)11-7)10(3,4)5;1-8-5-6-9(7-11-8)10(2,3)4;1-8-9(10(2,3)4)6-5-7-11-8;1-8-6-5-7-11-9(8)10(2,3)4;1-6-5-7(10)11-8(6)9(2,3)4;1-7-10-6-8(11(7)5)9(2,3)4;1-6-8(9(3,4)5)11-7(2)10-6;1-6-7(2)11-8(10-6)9(3,4)5;1-7-5-6-10-8(7)9(2,3)4;1-7-5-6-8(10-7)9(2,3)4;1-8(2,3)7-6(9)4-5-10-7;1-8(2,3)6-4-5-7(9)10-6;1-5-6(8(2,3)4)11-7(9)10-5;2*1-6-9-5-7(10-6)8(2,3)4;1-6-5-9-7(10-6)8(2,3)4;;/h2*6-8H,1-5H3;5-7H,1-4H3;5-6H,1-4H3;3*5-7H,1-4H3;6-7H,1-5H3;6H2,1-5H3;3*5-7H,1-4H3;5H,1-4H3;6H,1-5H3;2*1-5H3;2*5-6H,1-4H3;2*4-5H,1-3H3;1-4H3,(H2,9,10);5H,1-4H3,(H,9,10);2*5H,1-4H3;2*1H4
InChIKeyMJDRROAVOSDUTL-UHFFFAOYSA-N
XLogP76.61
TPSA200.89 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds
Heavy Atoms268
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003941.03
LogP ≤ 576.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Analyze 1-tert-butyl-4-chloro-2-methylbenzene;2-tert-butyl-5-chloro-3-methylthiophene;2-tert-butyl-3-chlorothiophene;2-tert-butyl-5-chlorothiophene;2-tert-butyl-1,5-difluoro-3-methylbenzene;bis(1-tert-butyl-2,4-dimethylbenzene);5-tert-butyl-1,2-dimethylimidazole;3-tert-butyl-2,6-dimethylpyridine;4-tert-butyl-2,5-dimethyl-3H-pyrrole;2-tert-butyl-4,5-dimethyl-1,3-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;tris(1-tert-butyl-4-fluoro-2-methylbenzene);5-tert-butyl-2-methyl-1H-imidazole;2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-4-methyl-1,3-thiazol-2-amine;2-tert-butyl-5-methyl-1,3-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-3-methylthiophene;2-tert-butyl-5-methylthiophene;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-chloro-2-methylbenzene;2-tert-butyl-5-chloro-3-methylthiophene;2-tert-butyl-3-chlorothiophene;2-tert-butyl-5-chlorothiophene;2-tert-butyl-1,5-difluoro-3-methylbenzene;bis(1-tert-butyl-2,4-dimethylbenzene);5-tert-butyl-1,2-dimethylimidazole;3-tert-butyl-2,6-dimethylpyridine;4-tert-butyl-2,5-dimethyl-3H-pyrrole;2-tert-butyl-4,5-dimethyl-1,3-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;tris(1-tert-butyl-4-fluoro-2-methylbenzene);5-tert-butyl-2-methyl-1H-imidazole;2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-4-methyl-1,3-thiazol-2-amine;2-tert-butyl-5-methyl-1,3-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-3-methylthiophene;2-tert-butyl-5-methylthiophene;methane?
The IUPAC name of 1-tert-butyl-4-chloro-2-methylbenzene;2-tert-butyl-5-chloro-3-methylthiophene;2-tert-butyl-3-chlorothiophene;2-tert-butyl-5-chlorothiophene;2-tert-butyl-1,5-difluoro-3-methylbenzene;bis(1-tert-butyl-2,4-dimethylbenzene);5-tert-butyl-1,2-dimethylimidazole;3-tert-butyl-2,6-dimethylpyridine;4-tert-butyl-2,5-dimethyl-3H-pyrrole;2-tert-butyl-4,5-dimethyl-1,3-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;tris(1-tert-butyl-4-fluoro-2-methylbenzene);5-tert-butyl-2-methyl-1H-imidazole;2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-4-methyl-1,3-thiazol-2-amine;2-tert-butyl-5-methyl-1,3-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-3-methylthiophene;2-tert-butyl-5-methylthiophene;methane (CID 159582164) is 1-tert-butyl-4-chloro-2-methylbenzene;2-tert-butyl-5-chloro-3-methylthiophene;2-tert-butyl-3-chlorothiophene;2-tert-butyl-5-chlorothiophene;2-tert-butyl-1,5-difluoro-3-methylbenzene;bis(1-tert-butyl-2,4-dimethylbenzene);5-tert-butyl-1,2-dimethylimidazole;3-tert-butyl-2,6-dimethylpyridine;4-tert-butyl-2,5-dimethyl-3H-pyrrole;2-tert-butyl-4,5-dimethyl-1,3-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;tris(1-tert-butyl-4-fluoro-2-methylbenzene);5-tert-butyl-2-methyl-1H-imidazole;2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-4-methyl-1,3-thiazol-2-amine;2-tert-butyl-5-methyl-1,3-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-3-methylthiophene;2-tert-butyl-5-methylthiophene;methane.
What is the SMILES notation for 1-tert-butyl-4-chloro-2-methylbenzene;2-tert-butyl-5-chloro-3-methylthiophene;2-tert-butyl-3-chlorothiophene;2-tert-butyl-5-chlorothiophene;2-tert-butyl-1,5-difluoro-3-methylbenzene;bis(1-tert-butyl-2,4-dimethylbenzene);5-tert-butyl-1,2-dimethylimidazole;3-tert-butyl-2,6-dimethylpyridine;4-tert-butyl-2,5-dimethyl-3H-pyrrole;2-tert-butyl-4,5-dimethyl-1,3-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;tris(1-tert-butyl-4-fluoro-2-methylbenzene);5-tert-butyl-2-methyl-1H-imidazole;2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-4-methyl-1,3-thiazol-2-amine;2-tert-butyl-5-methyl-1,3-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-3-methylthiophene;2-tert-butyl-5-methylthiophene;methane?
The canonical SMILES for 1-tert-butyl-4-chloro-2-methylbenzene;2-tert-butyl-5-chloro-3-methylthiophene;2-tert-butyl-3-chlorothiophene;2-tert-butyl-5-chlorothiophene;2-tert-butyl-1,5-difluoro-3-methylbenzene;bis(1-tert-butyl-2,4-dimethylbenzene);5-tert-butyl-1,2-dimethylimidazole;3-tert-butyl-2,6-dimethylpyridine;4-tert-butyl-2,5-dimethyl-3H-pyrrole;2-tert-butyl-4,5-dimethyl-1,3-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;tris(1-tert-butyl-4-fluoro-2-methylbenzene);5-tert-butyl-2-methyl-1H-imidazole;2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-4-methyl-1,3-thiazol-2-amine;2-tert-butyl-5-methyl-1,3-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-3-methylthiophene;2-tert-butyl-5-methylthiophene;methane is C.C.CC(C)(C)c1ccc(Cl)s1.CC(C)(C)c1sccc1Cl.CC1=NC(C)=C(C(C)(C)C)C1.Cc1cc(Cl)ccc1C(C)(C)C.Cc1cc(Cl)sc1C(C)(C)C.Cc1cc(F)cc(F)c1C(C)(C)C.Cc1cc(F)ccc1C(C)(C)C.Cc1cc(F)ccc1C(C)(C)C.Cc1cc(F)ccc1C(C)(C)C.Cc1ccc(C(C)(C)C)c(C)c1.Cc1ccc(C(C)(C)C)c(C)c1.Cc1ccc(C(C)(C)C)c(C)n1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)s1.Cc1cccnc1C(C)(C)C.Cc1ccsc1C(C)(C)C.Cc1cnc(C(C)(C)C)s1.Cc1nc(C(C)(C)C)sc1C.Cc1nc(C)c(C(C)(C)C)s1.Cc1nc(N)sc1C(C)(C)C.Cc1ncc(C(C)(C)C)[nH]1.Cc1ncc(C(C)(C)C)n1C.Cc1ncc(C(C)(C)C)s1.Cc1ncccc1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-4-chloro-2-methylbenzene;2-tert-butyl-5-chloro-3-methylthiophene;2-tert-butyl-3-chlorothiophene;2-tert-butyl-5-chlorothiophene;2-tert-butyl-1,5-difluoro-3-methylbenzene;bis(1-tert-butyl-2,4-dimethylbenzene);5-tert-butyl-1,2-dimethylimidazole;3-tert-butyl-2,6-dimethylpyridine;4-tert-butyl-2,5-dimethyl-3H-pyrrole;2-tert-butyl-4,5-dimethyl-1,3-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;tris(1-tert-butyl-4-fluoro-2-methylbenzene);5-tert-butyl-2-methyl-1H-imidazole;2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-4-methyl-1,3-thiazol-2-amine;2-tert-butyl-5-methyl-1,3-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-3-methylthiophene;2-tert-butyl-5-methylthiophene;methane?
The InChIKey is MJDRROAVOSDUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H18.C11H15Cl.C11H14F2.3C11H15F.C11H17N.C10H17N.3C10H15N.C9H13ClS.C9H16N2.2C9H15NS.2C9H14S.2C8H11ClS.C8H14N2S.C8H14N2.2C8H13NS.2CH4/c2*1-9-6-7-11(10(2)8-9)12(3,4)5;1-8-7-9(12)5-6-10(8)11(2,3)4;1-7-5-8(12)6-9(13)10(7)11(2,3)4;3*1-8-7-9(12)5-6-10(8)11(2,3)4;1-8-6-7-10(9(2)12-8)11(3,4)5;1-7-6-9(8(2)11-7)10(3,4)5;1-8-5-6-9(7-11-8)10(2,3)4;1-8-9(10(2,3)4)6-5-7-11-8;1-8-6-5-7-11-9(8)10(2,3)4;1-6-5-7(10)11-8(6)9(2,3)4;1-7-10-6-8(11(7)5)9(2,3)4;1-6-8(9(3,4)5)11-7(2)10-6;1-6-7(2)11-8(10-6)9(3,4)5;1-7-5-6-10-8(7)9(2,3)4;1-7-5-6-8(10-7)9(2,3)4;1-8(2,3)7-6(9)4-5-10-7;1-8(2,3)6-4-5-7(9)10-6;1-5-6(8(2,3)4)11-7(9)10-5;2*1-6-9-5-7(10-6)8(2,3)4;1-6-5-9-7(10-6)8(2,3)4;;/h2*6-8H,1-5H3;5-7H,1-4H3;5-6H,1-4H3;3*5-7H,1-4H3;6-7H,1-5H3;6H2,1-5H3;3*5-7H,1-4H3;5H,1-4H3;6H,1-5H3;2*1-5H3;2*5-6H,1-4H3;2*4-5H,1-3H3;1-4H3,(H2,9,10);5H,1-4H3,(H,9,10);2*5H,1-4H3;2*1H4.
What are the key properties of 1-tert-butyl-4-chloro-2-methylbenzene;2-tert-butyl-5-chloro-3-methylthiophene;2-tert-butyl-3-chlorothiophene;2-tert-butyl-5-chlorothiophene;2-tert-butyl-1,5-difluoro-3-methylbenzene;bis(1-tert-butyl-2,4-dimethylbenzene);5-tert-butyl-1,2-dimethylimidazole;3-tert-butyl-2,6-dimethylpyridine;4-tert-butyl-2,5-dimethyl-3H-pyrrole;2-tert-butyl-4,5-dimethyl-1,3-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;tris(1-tert-butyl-4-fluoro-2-methylbenzene);5-tert-butyl-2-methyl-1H-imidazole;2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-4-methyl-1,3-thiazol-2-amine;2-tert-butyl-5-methyl-1,3-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-3-methylthiophene;2-tert-butyl-5-methylthiophene;methane?
1-tert-butyl-4-chloro-2-methylbenzene;2-tert-butyl-5-chloro-3-methylthiophene;2-tert-butyl-3-chlorothiophene;2-tert-butyl-5-chlorothiophene;2-tert-butyl-1,5-difluoro-3-methylbenzene;bis(1-tert-butyl-2,4-dimethylbenzene);5-tert-butyl-1,2-dimethylimidazole;3-tert-butyl-2,6-dimethylpyridine;4-tert-butyl-2,5-dimethyl-3H-pyrrole;2-tert-butyl-4,5-dimethyl-1,3-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;tris(1-tert-butyl-4-fluoro-2-methylbenzene);5-tert-butyl-2-methyl-1H-imidazole;2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-4-methyl-1,3-thiazol-2-amine;2-tert-butyl-5-methyl-1,3-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-3-methylthiophene;2-tert-butyl-5-methylthiophene;methane has a molecular weight of 3941.03 g/mol, XLogP of 76.61, 0 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-chloro-2-methylbenzene;2-tert-butyl-5-chloro-3-methylthiophene;2-tert-butyl-3-chlorothiophene;2-tert-butyl-5-chlorothiophene;2-tert-butyl-1,5-difluoro-3-methylbenzene;bis(1-tert-butyl-2,4-dimethylbenzene);5-tert-butyl-1,2-dimethylimidazole;3-tert-butyl-2,6-dimethylpyridine;4-tert-butyl-2,5-dimethyl-3H-pyrrole;2-tert-butyl-4,5-dimethyl-1,3-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;tris(1-tert-butyl-4-fluoro-2-methylbenzene);5-tert-butyl-2-methyl-1H-imidazole;2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-4-methyl-1,3-thiazol-2-amine;2-tert-butyl-5-methyl-1,3-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-3-methylthiophene;2-tert-butyl-5-methylthiophene;methane is sourced from PubChem (CID 159582164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).