tert-butylbenzene;bis(1-tert-butylcyclopenta-1,3-diene);5-tert-butyl-1H-imidazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;bis(3-tert-butylthiophene);methane

C170H263N25O3S2 — CID 159335294

IUPACtert-butylbenzene;bis(1-tert-butylcyclopenta-1,3-diene);5-tert-butyl-1H-imidazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;bis(3-tert-butylthiophene);methane
SMILESC.CC(C)(C)C1=CC=CC1.CC(C)(C)C1=CC=CC1.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnn1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncn1.CC(C)(C)c1ccnnc1.CC(C)(C)c1ccno1.CC(C)(C)c1ccon1.CC(C)(C)c1ccsc1.CC(C)(C)c1ccsc1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.CC(C)(C)c1cnoc1.CC(C)(C)c1ncccn1
InChIInChI=1S/C10H14.3C9H13N.2C9H14.6C8H12N2.C8H13N.2C8H12S.3C7H12N2.3C7H11NO.CH4/c1-10(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;2*1-9(2,3)8-6-4-5-7-8;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-4-5-9-10-6-7;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-5-4-6-9-10-7;1-8(2,3)7-5-4-6-9-7;2*1-8(2,3)7-4-5-9-6-7;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-4-5-8-9-6;/h4-8H,1-3H3;3*4-7H,1-3H3;2*4-6H,7H2,1-3H3;6*4-6H,1-3H3;4-6,9H,1-3H3;2*4-6H,1-3H3;3*4-5H,1-3H3,(H,8,9);3*4-5H,1-3H3;1H4
InChIKeyLFLMJVWIIUDZJM-UHFFFAOYSA-N
MW2769.28 g/mol
LogP46.68
Rot. Bonds

About tert-butylbenzene;bis(1-tert-butylcyclopenta-1,3-diene);5-tert-butyl-1H-imidazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;bis(3-tert-butylthiophene);methane

tert-butylbenzene;bis(1-tert-butylcyclopenta-1,3-diene);5-tert-butyl-1H-imidazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;bis(3-tert-butylthiophene);methane (PubChem CID 159335294) has the molecular formula C170H263N25O3S2 and a molecular weight of 2769.28 g/mol. Its IUPAC name is tert-butylbenzene;bis(1-tert-butylcyclopenta-1,3-diene);5-tert-butyl-1H-imidazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;bis(3-tert-butylthiophene);methane.

Molecular Properties

Compound Nametert-butylbenzene;bis(1-tert-butylcyclopenta-1,3-diene);5-tert-butyl-1H-imidazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;bis(3-tert-butylthiophene);methane
PubChem CID159335294
Molecular FormulaC170H263N25O3S2
Molecular Weight2769.28 g/mol
Exact Mass2767.06
IUPAC Nametert-butylbenzene;bis(1-tert-butylcyclopenta-1,3-diene);5-tert-butyl-1H-imidazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;bis(3-tert-butylthiophene);methane
SMILESC.CC(C)(C)C1=CC=CC1.CC(C)(C)C1=CC=CC1.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnn1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncn1.CC(C)(C)c1ccnnc1.CC(C)(C)c1ccno1.CC(C)(C)c1ccon1.CC(C)(C)c1ccsc1.CC(C)(C)c1ccsc1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.CC(C)(C)c1cnoc1.CC(C)(C)c1ncccn1
InChIInChI=1S/C10H14.3C9H13N.2C9H14.6C8H12N2.C8H13N.2C8H12S.3C7H12N2.3C7H11NO.CH4/c1-10(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;2*1-9(2,3)8-6-4-5-7-8;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-4-5-9-10-6-7;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-5-4-6-9-10-7;1-8(2,3)7-5-4-6-9-7;2*1-8(2,3)7-4-5-9-6-7;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-4-5-8-9-6;/h4-8H,1-3H3;3*4-7H,1-3H3;2*4-6H,7H2,1-3H3;6*4-6H,1-3H3;4-6,9H,1-3H3;2*4-6H,1-3H3;3*4-5H,1-3H3,(H,8,9);3*4-5H,1-3H3;1H4
InChIKeyLFLMJVWIIUDZJM-UHFFFAOYSA-N
XLogP46.68
TPSA373.27 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002769.28
LogP ≤ 546.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Analyze tert-butylbenzene;bis(1-tert-butylcyclopenta-1,3-diene);5-tert-butyl-1H-imidazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;bis(3-tert-butylthiophene);methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;bis(1-tert-butylcyclopenta-1,3-diene);5-tert-butyl-1H-imidazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;bis(3-tert-butylthiophene);methane?
The IUPAC name of tert-butylbenzene;bis(1-tert-butylcyclopenta-1,3-diene);5-tert-butyl-1H-imidazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;bis(3-tert-butylthiophene);methane (CID 159335294) is tert-butylbenzene;bis(1-tert-butylcyclopenta-1,3-diene);5-tert-butyl-1H-imidazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;bis(3-tert-butylthiophene);methane.
What is the SMILES notation for tert-butylbenzene;bis(1-tert-butylcyclopenta-1,3-diene);5-tert-butyl-1H-imidazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;bis(3-tert-butylthiophene);methane?
The canonical SMILES for tert-butylbenzene;bis(1-tert-butylcyclopenta-1,3-diene);5-tert-butyl-1H-imidazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;bis(3-tert-butylthiophene);methane is C.CC(C)(C)C1=CC=CC1.CC(C)(C)C1=CC=CC1.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnn1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncn1.CC(C)(C)c1ccnnc1.CC(C)(C)c1ccno1.CC(C)(C)c1ccon1.CC(C)(C)c1ccsc1.CC(C)(C)c1ccsc1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.CC(C)(C)c1cnoc1.CC(C)(C)c1ncccn1.
What is the InChIKey of tert-butylbenzene;bis(1-tert-butylcyclopenta-1,3-diene);5-tert-butyl-1H-imidazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;bis(3-tert-butylthiophene);methane?
The InChIKey is LFLMJVWIIUDZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.3C9H13N.2C9H14.6C8H12N2.C8H13N.2C8H12S.3C7H12N2.3C7H11NO.CH4/c1-10(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;2*1-9(2,3)8-6-4-5-7-8;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-4-5-9-10-6-7;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-5-4-6-9-10-7;1-8(2,3)7-5-4-6-9-7;2*1-8(2,3)7-4-5-9-6-7;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-4-5-8-9-6;/h4-8H,1-3H3;3*4-7H,1-3H3;2*4-6H,7H2,1-3H3;6*4-6H,1-3H3;4-6,9H,1-3H3;2*4-6H,1-3H3;3*4-5H,1-3H3,(H,8,9);3*4-5H,1-3H3;1H4.
What are the key properties of tert-butylbenzene;bis(1-tert-butylcyclopenta-1,3-diene);5-tert-butyl-1H-imidazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;bis(3-tert-butylthiophene);methane?
tert-butylbenzene;bis(1-tert-butylcyclopenta-1,3-diene);5-tert-butyl-1H-imidazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;bis(3-tert-butylthiophene);methane has a molecular weight of 2769.28 g/mol, XLogP of 46.68, 0 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;bis(1-tert-butylcyclopenta-1,3-diene);5-tert-butyl-1H-imidazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;bis(3-tert-butylthiophene);methane is sourced from PubChem (CID 159335294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).