1,2-ditert-butylcyclopenta-1,3-diene;4,5-ditert-butyl-1H-imidazole;bis(4,5-ditert-butyl-1,3-oxazole);2,3-ditert-butyl-1H-pyrrole;3,4-ditert-butyl-2H-pyrrole;3,4-ditert-butyl-1,2,5-thiadiazole;methane

C81H144N8O2S — CID 157159563

IUPAC1,2-ditert-butylcyclopenta-1,3-diene;4,5-ditert-butyl-1H-imidazole;bis(4,5-ditert-butyl-1,3-oxazole);2,3-ditert-butyl-1H-pyrrole;3,4-ditert-butyl-2H-pyrrole;3,4-ditert-butyl-1,2,5-thiadiazole;methane
SMILESC.CC(C)(C)C1=C(C(C)(C)C)CC=C1.CC(C)(C)C1=C(C(C)(C)C)CN=C1.CC(C)(C)c1cc[nH]c1C(C)(C)C.CC(C)(C)c1nc[nH]c1C(C)(C)C.CC(C)(C)c1ncoc1C(C)(C)C.CC(C)(C)c1ncoc1C(C)(C)C.CC(C)(C)c1nsnc1C(C)(C)C
InChIInChI=1S/C13H22.2C12H21N.C11H20N2.2C11H19NO.C10H18N2S.CH4/c1-12(2,3)10-8-7-9-11(10)13(4,5)6;1-11(2,3)9-7-13-8-10(9)12(4,5)6;1-11(2,3)9-7-8-13-10(9)12(4,5)6;3*1-10(2,3)8-9(11(4,5)6)13-7-12-8;1-9(2,3)7-8(10(4,5)6)12-13-11-7;/h7-8H,9H2,1-6H3;7H,8H2,1-6H3;7-8,13H,1-6H3;7H,1-6H3,(H,12,13);2*7H,1-6H3;1-6H3;1H4
InChIKeyAMFCARVMKFXYCR-UHFFFAOYSA-N
MW1294.16 g/mol
LogP24.72
Rot. Bonds

About 1,2-ditert-butylcyclopenta-1,3-diene;4,5-ditert-butyl-1H-imidazole;bis(4,5-ditert-butyl-1,3-oxazole);2,3-ditert-butyl-1H-pyrrole;3,4-ditert-butyl-2H-pyrrole;3,4-ditert-butyl-1,2,5-thiadiazole;methane

1,2-ditert-butylcyclopenta-1,3-diene;4,5-ditert-butyl-1H-imidazole;bis(4,5-ditert-butyl-1,3-oxazole);2,3-ditert-butyl-1H-pyrrole;3,4-ditert-butyl-2H-pyrrole;3,4-ditert-butyl-1,2,5-thiadiazole;methane (PubChem CID 157159563) has the molecular formula C81H144N8O2S and a molecular weight of 1294.16 g/mol. Its IUPAC name is 1,2-ditert-butylcyclopenta-1,3-diene;4,5-ditert-butyl-1H-imidazole;bis(4,5-ditert-butyl-1,3-oxazole);2,3-ditert-butyl-1H-pyrrole;3,4-ditert-butyl-2H-pyrrole;3,4-ditert-butyl-1,2,5-thiadiazole;methane.

Molecular Properties

Compound Name1,2-ditert-butylcyclopenta-1,3-diene;4,5-ditert-butyl-1H-imidazole;bis(4,5-ditert-butyl-1,3-oxazole);2,3-ditert-butyl-1H-pyrrole;3,4-ditert-butyl-2H-pyrrole;3,4-ditert-butyl-1,2,5-thiadiazole;methane
PubChem CID157159563
Molecular FormulaC81H144N8O2S
Molecular Weight1294.16 g/mol
Exact Mass1293.11
IUPAC Name1,2-ditert-butylcyclopenta-1,3-diene;4,5-ditert-butyl-1H-imidazole;bis(4,5-ditert-butyl-1,3-oxazole);2,3-ditert-butyl-1H-pyrrole;3,4-ditert-butyl-2H-pyrrole;3,4-ditert-butyl-1,2,5-thiadiazole;methane
SMILESC.CC(C)(C)C1=C(C(C)(C)C)CC=C1.CC(C)(C)C1=C(C(C)(C)C)CN=C1.CC(C)(C)c1cc[nH]c1C(C)(C)C.CC(C)(C)c1nc[nH]c1C(C)(C)C.CC(C)(C)c1ncoc1C(C)(C)C.CC(C)(C)c1ncoc1C(C)(C)C.CC(C)(C)c1nsnc1C(C)(C)C
InChIInChI=1S/C13H22.2C12H21N.C11H20N2.2C11H19NO.C10H18N2S.CH4/c1-12(2,3)10-8-7-9-11(10)13(4,5)6;1-11(2,3)9-7-13-8-10(9)12(4,5)6;1-11(2,3)9-7-8-13-10(9)12(4,5)6;3*1-10(2,3)8-9(11(4,5)6)13-7-12-8;1-9(2,3)7-8(10(4,5)6)12-13-11-7;/h7-8H,9H2,1-6H3;7H,8H2,1-6H3;7-8,13H,1-6H3;7H,1-6H3,(H,12,13);2*7H,1-6H3;1-6H3;1H4
InChIKeyAMFCARVMKFXYCR-UHFFFAOYSA-N
XLogP24.72
TPSA134.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001294.16
LogP ≤ 524.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1,2-ditert-butylcyclopenta-1,3-diene;4,5-ditert-butyl-1H-imidazole;bis(4,5-ditert-butyl-1,3-oxazole);2,3-ditert-butyl-1H-pyrrole;3,4-ditert-butyl-2H-pyrrole;3,4-ditert-butyl-1,2,5-thiadiazole;methane with MolForge

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Launch Full Analysis

Related Compounds

2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butylpyridine;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butyl-1,2,4-triazole;bis(4-tert-butyl-2H-triazole);bis(5-tert-butyl-1H-1,2,4-triazole)
CID 157205327
4,5-ditert-butyl-1-methylimidazole;4,5-ditert-butyl-1,3-oxazole;2,3-ditert-butyl-1H-pyrrole
CID 157360084
4,5-ditert-butyl-1-methylimidazole;4,5-ditert-butyl-3-methyl-1,2-oxazole;4,5-ditert-butyl-1,3-oxazole;2,3-ditert-butyl-1H-pyrrole
CID 157464035
2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-2H-tetrazole
CID 157740950
4,5-di(propan-2-yl)-1,3-oxazole;bis(2,3-di(propan-2-yl)-1H-pyrrole);3,4-di(propan-2-yl)-1H-pyrrole
CID 157944476
bis(1,2-ditert-butylimidazole);4,5-ditert-butyl-1H-imidazole;4,5-ditert-butyl-1,3-oxazole;2,3-ditert-butylpyrazine;bis(2,3-ditert-butylpyridine);1,5-ditert-butyl-1,2,4-triazole
CID 159069356
2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butylpyridine;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butyl-1,2,4-triazole;bis(4-tert-butyl-2H-triazole);bis(5-tert-butyl-1H-1,2,4-triazole)
CID 159295876
5-tert-butyl-4-ethenyl-1H-imidazole;5-tert-butyl-4-ethenyl-1,3-oxazole;4-tert-butyl-2-ethenylpyridine;3-tert-butyl-2-ethenyl-1H-pyrrole;5-tert-butyl-4-ethenyl-1,3-thiazole;methane
CID 159320891
4,5-ditert-butyl-1-methylimidazole;4,5-ditert-butyl-1,3-oxazole;2,3-ditert-butyl-1H-pyrrole;methane
CID 159386769
4,5-ditert-butyl-1,3-oxazole;2,3-ditert-butylpyridine;3,4-ditert-butylpyridine;4,5-ditert-butylpyrimidine;1H-imidazole
CID 159575416
5-tert-butyl-4-ethenyl-1H-imidazole;5-tert-butyl-4-ethenyl-1,3-oxazole;4-tert-butyl-2-ethenylpyridine;3-tert-butyl-2-ethenyl-1H-pyrrole;5-tert-butyl-4-ethenyl-1,3-thiazole
CID 159941043
methane;bis(5-propan-2-yl-1H-imidazole);4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-2H-triazole
CID 160286133

Frequently Asked Questions

What is the IUPAC name of 1,2-ditert-butylcyclopenta-1,3-diene;4,5-ditert-butyl-1H-imidazole;bis(4,5-ditert-butyl-1,3-oxazole);2,3-ditert-butyl-1H-pyrrole;3,4-ditert-butyl-2H-pyrrole;3,4-ditert-butyl-1,2,5-thiadiazole;methane?
The IUPAC name of 1,2-ditert-butylcyclopenta-1,3-diene;4,5-ditert-butyl-1H-imidazole;bis(4,5-ditert-butyl-1,3-oxazole);2,3-ditert-butyl-1H-pyrrole;3,4-ditert-butyl-2H-pyrrole;3,4-ditert-butyl-1,2,5-thiadiazole;methane (CID 157159563) is 1,2-ditert-butylcyclopenta-1,3-diene;4,5-ditert-butyl-1H-imidazole;bis(4,5-ditert-butyl-1,3-oxazole);2,3-ditert-butyl-1H-pyrrole;3,4-ditert-butyl-2H-pyrrole;3,4-ditert-butyl-1,2,5-thiadiazole;methane.
What is the SMILES notation for 1,2-ditert-butylcyclopenta-1,3-diene;4,5-ditert-butyl-1H-imidazole;bis(4,5-ditert-butyl-1,3-oxazole);2,3-ditert-butyl-1H-pyrrole;3,4-ditert-butyl-2H-pyrrole;3,4-ditert-butyl-1,2,5-thiadiazole;methane?
The canonical SMILES for 1,2-ditert-butylcyclopenta-1,3-diene;4,5-ditert-butyl-1H-imidazole;bis(4,5-ditert-butyl-1,3-oxazole);2,3-ditert-butyl-1H-pyrrole;3,4-ditert-butyl-2H-pyrrole;3,4-ditert-butyl-1,2,5-thiadiazole;methane is C.CC(C)(C)C1=C(C(C)(C)C)CC=C1.CC(C)(C)C1=C(C(C)(C)C)CN=C1.CC(C)(C)c1cc[nH]c1C(C)(C)C.CC(C)(C)c1nc[nH]c1C(C)(C)C.CC(C)(C)c1ncoc1C(C)(C)C.CC(C)(C)c1ncoc1C(C)(C)C.CC(C)(C)c1nsnc1C(C)(C)C.
What is the InChIKey of 1,2-ditert-butylcyclopenta-1,3-diene;4,5-ditert-butyl-1H-imidazole;bis(4,5-ditert-butyl-1,3-oxazole);2,3-ditert-butyl-1H-pyrrole;3,4-ditert-butyl-2H-pyrrole;3,4-ditert-butyl-1,2,5-thiadiazole;methane?
The InChIKey is AMFCARVMKFXYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22.2C12H21N.C11H20N2.2C11H19NO.C10H18N2S.CH4/c1-12(2,3)10-8-7-9-11(10)13(4,5)6;1-11(2,3)9-7-13-8-10(9)12(4,5)6;1-11(2,3)9-7-8-13-10(9)12(4,5)6;3*1-10(2,3)8-9(11(4,5)6)13-7-12-8;1-9(2,3)7-8(10(4,5)6)12-13-11-7;/h7-8H,9H2,1-6H3;7H,8H2,1-6H3;7-8,13H,1-6H3;7H,1-6H3,(H,12,13);2*7H,1-6H3;1-6H3;1H4.
What are the key properties of 1,2-ditert-butylcyclopenta-1,3-diene;4,5-ditert-butyl-1H-imidazole;bis(4,5-ditert-butyl-1,3-oxazole);2,3-ditert-butyl-1H-pyrrole;3,4-ditert-butyl-2H-pyrrole;3,4-ditert-butyl-1,2,5-thiadiazole;methane?
1,2-ditert-butylcyclopenta-1,3-diene;4,5-ditert-butyl-1H-imidazole;bis(4,5-ditert-butyl-1,3-oxazole);2,3-ditert-butyl-1H-pyrrole;3,4-ditert-butyl-2H-pyrrole;3,4-ditert-butyl-1,2,5-thiadiazole;methane has a molecular weight of 1294.16 g/mol, XLogP of 24.72, 0 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-ditert-butylcyclopenta-1,3-diene;4,5-ditert-butyl-1H-imidazole;bis(4,5-ditert-butyl-1,3-oxazole);2,3-ditert-butyl-1H-pyrrole;3,4-ditert-butyl-2H-pyrrole;3,4-ditert-butyl-1,2,5-thiadiazole;methane is sourced from PubChem (CID 157159563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).