1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butylimidazole;5-tert-butyl-2-methoxypyridine;bis(1-tert-butyl-3-methylbenzene);2-tert-butyl-1-methylcyclopenta-1,3-diene;2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;4-tert-butyl-1-methylpyrazole;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;2-tert-butylphenol;4-tert-butylphenol;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-2H-pyrrole

C199H307FN10O3S3 — CID 158368802

IUPAC1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butylimidazole;5-tert-butyl-2-methoxypyridine;bis(1-tert-butyl-3-methylbenzene);2-tert-butyl-1-methylcyclopenta-1,3-diene;2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;4-tert-butyl-1-methylpyrazole;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;2-tert-butylphenol;4-tert-butylphenol;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-2H-pyrrole
SMILESCC(C)(C)C1=CC=CC1.CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCN=C1.CC(C)(C)c1ccc(O)cc1.CC(C)(C)c1ccccc1O.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)n1ccnc1.CC1=C(C(C)(C)C)C=CC1.CC1=CC(C(C)(C)C)=CC1.CC1=CCC=C1C(C)(C)C.CC1=NCC(C)=C1C(C)(C)C.CC1=NCC(C)=C1C(C)(C)C.COc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cc1F.Cc1ccc(C(C)(C)C)s1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1ccsc1C(C)(C)C.Cc1csc(C(C)(C)C)c1.Cn1cc(C(C)(C)C)cn1
InChIInChI=1S/C11H15F.2C11H16.C10H15NO.2C10H17N.2C10H14O.3C10H16.2C9H13N.3C9H14S.2C9H14.C8H14N2.C8H13N.C7H12N2/c1-8-5-6-9(7-10(8)12)11(2,3)4;2*1-9-6-5-7-10(8-9)11(2,3)4;1-10(2,3)8-5-6-9(12-4)11-7-8;2*1-7-6-11-8(2)9(7)10(3,4)5;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-6-4-5-7-9(8)11;1-8-5-6-9(7-8)10(2,3)4;2*1-8-6-5-7-9(8)10(2,3)4;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-7-5-8(10-6-7)9(2,3)4;1-7-5-6-10-8(7)9(2,3)4;1-7-5-6-8(10-7)9(2,3)4;2*1-9(2,3)8-6-4-5-7-8;1-8(2,3)7-5-9-10(4)6-7;1-8(2,3)7-4-5-9-6-7;1-7(2,3)9-5-4-8-6-9/h5-7H,1-4H3;2*5-8H,1-4H3;5-7H,1-4H3;2*6H2,1-5H3;2*4-7,11H,1-3H3;2*6-7H,5H2,1-4H3;5,7H,6H2,1-4H3;2*4-7H,1-3H3;3*5-6H,1-4H3;4,6-7H,5H2,1-3H3;4-6H,7H2,1-3H3;5-6H,1-4H3;4,6H,5H2,1-3H3;4-6H,1-3H3
InChIKeyGUIWQHKGUNBDGR-UHFFFAOYSA-N
MW3002.91 g/mol
LogP59.41
Rot. Bonds1

About 1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butylimidazole;5-tert-butyl-2-methoxypyridine;bis(1-tert-butyl-3-methylbenzene);2-tert-butyl-1-methylcyclopenta-1,3-diene;2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;4-tert-butyl-1-methylpyrazole;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;2-tert-butylphenol;4-tert-butylphenol;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-2H-pyrrole

1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butylimidazole;5-tert-butyl-2-methoxypyridine;bis(1-tert-butyl-3-methylbenzene);2-tert-butyl-1-methylcyclopenta-1,3-diene;2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;4-tert-butyl-1-methylpyrazole;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;2-tert-butylphenol;4-tert-butylphenol;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-2H-pyrrole (PubChem CID 158368802) has the molecular formula C199H307FN10O3S3 and a molecular weight of 3002.91 g/mol. Its IUPAC name is 1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butylimidazole;5-tert-butyl-2-methoxypyridine;bis(1-tert-butyl-3-methylbenzene);2-tert-butyl-1-methylcyclopenta-1,3-diene;2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;4-tert-butyl-1-methylpyrazole;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;2-tert-butylphenol;4-tert-butylphenol;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-2H-pyrrole.

Molecular Properties

Compound Name1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butylimidazole;5-tert-butyl-2-methoxypyridine;bis(1-tert-butyl-3-methylbenzene);2-tert-butyl-1-methylcyclopenta-1,3-diene;2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;4-tert-butyl-1-methylpyrazole;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;2-tert-butylphenol;4-tert-butylphenol;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-2H-pyrrole
PubChem CID158368802
Molecular FormulaC199H307FN10O3S3
Molecular Weight3002.91 g/mol
Exact Mass3000.33
IUPAC Name1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butylimidazole;5-tert-butyl-2-methoxypyridine;bis(1-tert-butyl-3-methylbenzene);2-tert-butyl-1-methylcyclopenta-1,3-diene;2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;4-tert-butyl-1-methylpyrazole;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;2-tert-butylphenol;4-tert-butylphenol;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-2H-pyrrole
SMILESCC(C)(C)C1=CC=CC1.CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCN=C1.CC(C)(C)c1ccc(O)cc1.CC(C)(C)c1ccccc1O.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)n1ccnc1.CC1=C(C(C)(C)C)C=CC1.CC1=CC(C(C)(C)C)=CC1.CC1=CCC=C1C(C)(C)C.CC1=NCC(C)=C1C(C)(C)C.CC1=NCC(C)=C1C(C)(C)C.COc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cc1F.Cc1ccc(C(C)(C)C)s1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1ccsc1C(C)(C)C.Cc1csc(C(C)(C)C)c1.Cn1cc(C(C)(C)C)cn1
InChIInChI=1S/C11H15F.2C11H16.C10H15NO.2C10H17N.2C10H14O.3C10H16.2C9H13N.3C9H14S.2C9H14.C8H14N2.C8H13N.C7H12N2/c1-8-5-6-9(7-10(8)12)11(2,3)4;2*1-9-6-5-7-10(8-9)11(2,3)4;1-10(2,3)8-5-6-9(12-4)11-7-8;2*1-7-6-11-8(2)9(7)10(3,4)5;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-6-4-5-7-9(8)11;1-8-5-6-9(7-8)10(2,3)4;2*1-8-6-5-7-9(8)10(2,3)4;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-7-5-8(10-6-7)9(2,3)4;1-7-5-6-10-8(7)9(2,3)4;1-7-5-6-8(10-7)9(2,3)4;2*1-9(2,3)8-6-4-5-7-8;1-8(2,3)7-5-9-10(4)6-7;1-8(2,3)7-4-5-9-6-7;1-7(2,3)9-5-4-8-6-9/h5-7H,1-4H3;2*5-8H,1-4H3;5-7H,1-4H3;2*6H2,1-5H3;2*4-7,11H,1-3H3;2*6-7H,5H2,1-4H3;5,7H,6H2,1-4H3;2*4-7H,1-3H3;3*5-6H,1-4H3;4,6-7H,5H2,1-3H3;4-6H,7H2,1-3H3;5-6H,1-4H3;4,6H,5H2,1-3H3;4-6H,1-3H3
InChIKeyGUIWQHKGUNBDGR-UHFFFAOYSA-N
XLogP59.41
TPSA161.08 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds1
Heavy Atoms216
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003002.91
LogP ≤ 559.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze 1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butylimidazole;5-tert-butyl-2-methoxypyridine;bis(1-tert-butyl-3-methylbenzene);2-tert-butyl-1-methylcyclopenta-1,3-diene;2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;4-tert-butyl-1-methylpyrazole;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;2-tert-butylphenol;4-tert-butylphenol;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-2H-pyrrole with MolForge

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Launch Full Analysis

Related Compounds

3-(4-Fluoro-3-methylphenyl)pyridazine;1-(4-fluoro-3-methylphenyl)triazole;2-(2-methoxy-5-methylphenyl)pyrazine;3-(2-methoxy-5-methylphenyl)pyridazine;2-(2-methoxy-5-methylphenyl)pyridine;2-(2-methoxy-5-methylphenyl)thiophene;2-(3-methylphenyl)pyrazine;3-(3-methylphenyl)pyridazine;2-(3-methylphenyl)pyridine;1-(3-methylphenyl)pyrrole;2-(3-methylphenyl)thiophene;1-(3-methylphenyl)triazole;1-(3-methylphenyl)-1,2,4-triazole
CID 157522481
1-(3,4-Dimethylphenyl)pyrazole;1-(4-fluoro-3-methylphenyl)triazole;2-(2-methoxy-5-methylphenyl)pyrazine;1-(2-methoxy-5-methylphenyl)pyrazole;2-(2-methoxy-5-methylphenyl)pyrimidine;2-(2-methoxy-5-methylphenyl)thiophene;4-methyl-2-(3-methylphenyl)pyrimidine;2-(3-methylphenyl)pyrazine;1-(3-methylphenyl)pyrazole;1-(3-methylphenyl)pyrrole;2-(3-methylphenyl)thiophene;1-(3-methylphenyl)triazole;1-(3-methylphenyl)-1,2,4-triazole;4-methyl-2-pyrimidin-2-ylphenol
CID 158262044
tert-butylbenzene;1-tert-butylbenzimidazole;3-(4-tert-butyl-3-chlorophenyl)-N,N-dimethylprop-2-yn-1-amine;1-(4-tert-butyl-3-fluorophenyl)-4-methylpiperazine;1-tert-butylindole;2-tert-butyl-4-(4-methylthiophen-3-yl)phenol;bis(1-tert-butylpiperidine);1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;tert-butylsulfanylbenzene;4-(4-isocyano-3-propan-2-yl-2H-pyrrol-5-yl)phenol;1-methoxy-4-propan-2-ylbenzene
CID 159007376
4-tert-butyl-2-(difluoromethyl)pyridine;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-3-fluoropyridine;1-tert-butylimidazole;5-tert-butyl-2-methoxypyridine;bis(1-tert-butyl-3-methylbenzene);2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;4-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methylpyridine;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;3-tert-butyl-2-methylthiophene;2-tert-butylphenol;4-tert-butylphenol;4-tert-butylpyridine;3-tert-butyl-2H-pyrrole;4-tert-butyl-2H-pyrrole;3-tert-butylthiophene;methane
CID 159998163
4-tert-butyl-2-(difluoromethyl)pyridine;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);1-tert-butyl-3-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butylimidazole;5-tert-butyl-2-methoxypyridine;1-tert-butyl-4-methylbenzene;2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;4-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methylpyridine;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;3-tert-butyl-2-methylthiophene;2-tert-butylphenol;3-tert-butylphenol;3-tert-butyl-2H-pyrrole;4-tert-butyl-2H-pyrrole
CID 163487711

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butylimidazole;5-tert-butyl-2-methoxypyridine;bis(1-tert-butyl-3-methylbenzene);2-tert-butyl-1-methylcyclopenta-1,3-diene;2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;4-tert-butyl-1-methylpyrazole;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;2-tert-butylphenol;4-tert-butylphenol;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-2H-pyrrole?
The IUPAC name of 1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butylimidazole;5-tert-butyl-2-methoxypyridine;bis(1-tert-butyl-3-methylbenzene);2-tert-butyl-1-methylcyclopenta-1,3-diene;2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;4-tert-butyl-1-methylpyrazole;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;2-tert-butylphenol;4-tert-butylphenol;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-2H-pyrrole (CID 158368802) is 1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butylimidazole;5-tert-butyl-2-methoxypyridine;bis(1-tert-butyl-3-methylbenzene);2-tert-butyl-1-methylcyclopenta-1,3-diene;2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;4-tert-butyl-1-methylpyrazole;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;2-tert-butylphenol;4-tert-butylphenol;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-2H-pyrrole.
What is the SMILES notation for 1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butylimidazole;5-tert-butyl-2-methoxypyridine;bis(1-tert-butyl-3-methylbenzene);2-tert-butyl-1-methylcyclopenta-1,3-diene;2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;4-tert-butyl-1-methylpyrazole;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;2-tert-butylphenol;4-tert-butylphenol;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-2H-pyrrole?
The canonical SMILES for 1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butylimidazole;5-tert-butyl-2-methoxypyridine;bis(1-tert-butyl-3-methylbenzene);2-tert-butyl-1-methylcyclopenta-1,3-diene;2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;4-tert-butyl-1-methylpyrazole;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;2-tert-butylphenol;4-tert-butylphenol;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-2H-pyrrole is CC(C)(C)C1=CC=CC1.CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCN=C1.CC(C)(C)c1ccc(O)cc1.CC(C)(C)c1ccccc1O.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)n1ccnc1.CC1=C(C(C)(C)C)C=CC1.CC1=CC(C(C)(C)C)=CC1.CC1=CCC=C1C(C)(C)C.CC1=NCC(C)=C1C(C)(C)C.CC1=NCC(C)=C1C(C)(C)C.COc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cc1F.Cc1ccc(C(C)(C)C)s1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1ccsc1C(C)(C)C.Cc1csc(C(C)(C)C)c1.Cn1cc(C(C)(C)C)cn1.
What is the InChIKey of 1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butylimidazole;5-tert-butyl-2-methoxypyridine;bis(1-tert-butyl-3-methylbenzene);2-tert-butyl-1-methylcyclopenta-1,3-diene;2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;4-tert-butyl-1-methylpyrazole;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;2-tert-butylphenol;4-tert-butylphenol;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-2H-pyrrole?
The InChIKey is GUIWQHKGUNBDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F.2C11H16.C10H15NO.2C10H17N.2C10H14O.3C10H16.2C9H13N.3C9H14S.2C9H14.C8H14N2.C8H13N.C7H12N2/c1-8-5-6-9(7-10(8)12)11(2,3)4;2*1-9-6-5-7-10(8-9)11(2,3)4;1-10(2,3)8-5-6-9(12-4)11-7-8;2*1-7-6-11-8(2)9(7)10(3,4)5;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-6-4-5-7-9(8)11;1-8-5-6-9(7-8)10(2,3)4;2*1-8-6-5-7-9(8)10(2,3)4;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-7-5-8(10-6-7)9(2,3)4;1-7-5-6-10-8(7)9(2,3)4;1-7-5-6-8(10-7)9(2,3)4;2*1-9(2,3)8-6-4-5-7-8;1-8(2,3)7-5-9-10(4)6-7;1-8(2,3)7-4-5-9-6-7;1-7(2,3)9-5-4-8-6-9/h5-7H,1-4H3;2*5-8H,1-4H3;5-7H,1-4H3;2*6H2,1-5H3;2*4-7,11H,1-3H3;2*6-7H,5H2,1-4H3;5,7H,6H2,1-4H3;2*4-7H,1-3H3;3*5-6H,1-4H3;4,6-7H,5H2,1-3H3;4-6H,7H2,1-3H3;5-6H,1-4H3;4,6H,5H2,1-3H3;4-6H,1-3H3.
What are the key properties of 1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butylimidazole;5-tert-butyl-2-methoxypyridine;bis(1-tert-butyl-3-methylbenzene);2-tert-butyl-1-methylcyclopenta-1,3-diene;2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;4-tert-butyl-1-methylpyrazole;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;2-tert-butylphenol;4-tert-butylphenol;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-2H-pyrrole?
1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butylimidazole;5-tert-butyl-2-methoxypyridine;bis(1-tert-butyl-3-methylbenzene);2-tert-butyl-1-methylcyclopenta-1,3-diene;2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;4-tert-butyl-1-methylpyrazole;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;2-tert-butylphenol;4-tert-butylphenol;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-2H-pyrrole has a molecular weight of 3002.91 g/mol, XLogP of 59.41, 1 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butylimidazole;5-tert-butyl-2-methoxypyridine;bis(1-tert-butyl-3-methylbenzene);2-tert-butyl-1-methylcyclopenta-1,3-diene;2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;4-tert-butyl-1-methylpyrazole;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;2-tert-butylphenol;4-tert-butylphenol;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-2H-pyrrole is sourced from PubChem (CID 158368802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).