tert-butylbenzene;3-tert-butylfuran;4-tert-butyl-2H-pyran;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;5-tert-butyl-1,2,4-triazine;6-tert-butyl-1,2,4-triazine;tetradecakis(2,2-dimethylpropane)

C186H341N21O2 — CID 161439109

About tert-butylbenzene;3-tert-butylfuran;4-tert-butyl-2H-pyran;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;5-tert-butyl-1,2,4-triazine;6-tert-butyl-1,2,4-triazine;tetradecakis(2,2-dimethylpropane)

tert-butylbenzene;3-tert-butylfuran;4-tert-butyl-2H-pyran;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;5-tert-butyl-1,2,4-triazine;6-tert-butyl-1,2,4-triazine;tetradecakis(2,2-dimethylpropane) (PubChem CID 161439109) has the molecular formula C186H341N21O2 and a molecular weight of 2903.92 g/mol. Its IUPAC name is tert-butylbenzene;3-tert-butylfuran;4-tert-butyl-2H-pyran;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;5-tert-butyl-1,2,4-triazine;6-tert-butyl-1,2,4-triazine;tetradecakis(2,2-dimethylpropane).

Molecular Properties

• Compound Name: tert-butylbenzene;3-tert-butylfuran;4-tert-butyl-2H-pyran;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;5-tert-butyl-1,2,4-triazine;6-tert-butyl-1,2,4-triazine;tetradecakis(2,2-dimethylpropane)
• PubChem CID: 161439109
• Molecular Formula: C186H341N21O2
• Molecular Weight: 2903.92 g/mol
• Exact Mass: 2901.72
• IUPAC Name: tert-butylbenzene;3-tert-butylfuran;4-tert-butyl-2H-pyran;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;5-tert-butyl-1,2,4-triazine;6-tert-butyl-1,2,4-triazine;tetradecakis(2,2-dimethylpropane)
• SMILES: CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C1=CCOC=C1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnn1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncn1.CC(C)(C)c1ccnnc1.CC(C)(C)c1ccoc1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.CC(C)(C)c1cncnn1.CC(C)(C)c1cnncn1.CC(C)(C)c1ncccn1
• InChI: InChI=1S/C10H14.3C9H13N.C9H14O.6C8H12N2.C8H12O.2C7H11N3.14C5H12/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;1-9(2,3)8-4-6-10-7-5-8;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)7-4-5-9-6-7;1-7(2,3)6-4-9-10-5-8-6;1-7(2,3)6-4-8-5-9-10-6;14*1-5(2,3)4/h4-8H,1-3H3;3*4-7H,1-3H3;4-6H,7H2,1-3H3;6*4-6H,1-3H3;4-6H,1-3H3;2*4-5H,1-3H3;14*1-4H3
• InChIKey: VZAPBYQQTNECLS-UHFFFAOYSA-N
• XLogP: 56.92
• TPSA: 293.06 Ų
• H-Bond Acceptors: 23
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2903.92
LogP ≤ 5	56.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;3-tert-butylfuran;4-tert-butyl-2H-pyran;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;5-tert-butyl-1,2,4-triazine;6-tert-butyl-1,2,4-triazine;tetradecakis(2,2-dimethylpropane)?

The IUPAC name of tert-butylbenzene;3-tert-butylfuran;4-tert-butyl-2H-pyran;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;5-tert-butyl-1,2,4-triazine;6-tert-butyl-1,2,4-triazine;tetradecakis(2,2-dimethylpropane) (CID 161439109) is tert-butylbenzene;3-tert-butylfuran;4-tert-butyl-2H-pyran;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;5-tert-butyl-1,2,4-triazine;6-tert-butyl-1,2,4-triazine;tetradecakis(2,2-dimethylpropane).

What is the SMILES notation for tert-butylbenzene;3-tert-butylfuran;4-tert-butyl-2H-pyran;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;5-tert-butyl-1,2,4-triazine;6-tert-butyl-1,2,4-triazine;tetradecakis(2,2-dimethylpropane)?

The canonical SMILES for tert-butylbenzene;3-tert-butylfuran;4-tert-butyl-2H-pyran;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;5-tert-butyl-1,2,4-triazine;6-tert-butyl-1,2,4-triazine;tetradecakis(2,2-dimethylpropane) is CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C1=CCOC=C1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnn1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncn1.CC(C)(C)c1ccnnc1.CC(C)(C)c1ccoc1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.CC(C)(C)c1cncnn1.CC(C)(C)c1cnncn1.CC(C)(C)c1ncccn1.

What is the InChIKey of tert-butylbenzene;3-tert-butylfuran;4-tert-butyl-2H-pyran;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;5-tert-butyl-1,2,4-triazine;6-tert-butyl-1,2,4-triazine;tetradecakis(2,2-dimethylpropane)?

The InChIKey is VZAPBYQQTNECLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.3C9H13N.C9H14O.6C8H12N2.C8H12O.2C7H11N3.14C5H12/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;1-9(2,3)8-4-6-10-7-5-8;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)7-4-5-9-6-7;1-7(2,3)6-4-9-10-5-8-6;1-7(2,3)6-4-8-5-9-10-6;14*1-5(2,3)4/h4-8H,1-3H3;3*4-7H,1-3H3;4-6H,7H2,1-3H3;6*4-6H,1-3H3;4-6H,1-3H3;2*4-5H,1-3H3;14*1-4H3.

What are the key properties of tert-butylbenzene;3-tert-butylfuran;4-tert-butyl-2H-pyran;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;5-tert-butyl-1,2,4-triazine;6-tert-butyl-1,2,4-triazine;tetradecakis(2,2-dimethylpropane)?

tert-butylbenzene;3-tert-butylfuran;4-tert-butyl-2H-pyran;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;5-tert-butyl-1,2,4-triazine;6-tert-butyl-1,2,4-triazine;tetradecakis(2,2-dimethylpropane) has a molecular weight of 2903.92 g/mol, XLogP of 56.92, 0 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butylbenzene;3-tert-butylfuran;4-tert-butyl-2H-pyran;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;5-tert-butyl-1,2,4-triazine;6-tert-butyl-1,2,4-triazine;tetradecakis(2,2-dimethylpropane) is sourced from PubChem (CID 161439109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).