2-tert-butyl-1-dimethylphosphoryl-3-methylbenzene;bis(3-tert-butyl-2,4-dimethylpyridine);1-tert-butyl-2-fluorobenzene;2-tert-butyl-1-fluoro-3-methylbenzene;bis(1-tert-butyl-2-methylbenzene);2-tert-butyl-3-methylpyridine;2,5-ditert-butylfuran;2,5-ditert-butyl-1,3-thiazole;hexakis(2,2-dimethylpropane);bis(2-methylpropane)

C149H261F2N4O2PS — CID 161336336

About 2-tert-butyl-1-dimethylphosphoryl-3-methylbenzene;bis(3-tert-butyl-2,4-dimethylpyridine);1-tert-butyl-2-fluorobenzene;2-tert-butyl-1-fluoro-3-methylbenzene;bis(1-tert-butyl-2-methylbenzene);2-tert-butyl-3-methylpyridine;2,5-ditert-butylfuran;2,5-ditert-butyl-1,3-thiazole;hexakis(2,2-dimethylpropane);bis(2-methylpropane)

2-tert-butyl-1-dimethylphosphoryl-3-methylbenzene;bis(3-tert-butyl-2,4-dimethylpyridine);1-tert-butyl-2-fluorobenzene;2-tert-butyl-1-fluoro-3-methylbenzene;bis(1-tert-butyl-2-methylbenzene);2-tert-butyl-3-methylpyridine;2,5-ditert-butylfuran;2,5-ditert-butyl-1,3-thiazole;hexakis(2,2-dimethylpropane);bis(2-methylpropane) (PubChem CID 161336336) has the molecular formula C149H261F2N4O2PS and a molecular weight of 2241.79 g/mol. Its IUPAC name is 2-tert-butyl-1-dimethylphosphoryl-3-methylbenzene;bis(3-tert-butyl-2,4-dimethylpyridine);1-tert-butyl-2-fluorobenzene;2-tert-butyl-1-fluoro-3-methylbenzene;bis(1-tert-butyl-2-methylbenzene);2-tert-butyl-3-methylpyridine;2,5-ditert-butylfuran;2,5-ditert-butyl-1,3-thiazole;hexakis(2,2-dimethylpropane);bis(2-methylpropane).

Molecular Properties

• Compound Name: 2-tert-butyl-1-dimethylphosphoryl-3-methylbenzene;bis(3-tert-butyl-2,4-dimethylpyridine);1-tert-butyl-2-fluorobenzene;2-tert-butyl-1-fluoro-3-methylbenzene;bis(1-tert-butyl-2-methylbenzene);2-tert-butyl-3-methylpyridine;2,5-ditert-butylfuran;2,5-ditert-butyl-1,3-thiazole;hexakis(2,2-dimethylpropane);bis(2-methylpropane)
• PubChem CID: 161336336
• Molecular Formula: C149H261F2N4O2PS
• Molecular Weight: 2241.79 g/mol
• Exact Mass: 2239.99
• IUPAC Name: 2-tert-butyl-1-dimethylphosphoryl-3-methylbenzene;bis(3-tert-butyl-2,4-dimethylpyridine);1-tert-butyl-2-fluorobenzene;2-tert-butyl-1-fluoro-3-methylbenzene;bis(1-tert-butyl-2-methylbenzene);2-tert-butyl-3-methylpyridine;2,5-ditert-butylfuran;2,5-ditert-butyl-1,3-thiazole;hexakis(2,2-dimethylpropane);bis(2-methylpropane)
• 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)c1ccc(C(C)(C)C)o1.CC(C)(C)c1ccccc1F.CC(C)(C)c1cnc(C(C)(C)C)s1.CC(C)C.CC(C)C.Cc1cccc(F)c1C(C)(C)C.Cc1cccc(P(C)(C)=O)c1C(C)(C)C.Cc1ccccc1C(C)(C)C.Cc1ccccc1C(C)(C)C.Cc1cccnc1C(C)(C)C.Cc1ccnc(C)c1C(C)(C)C.Cc1ccnc(C)c1C(C)(C)C
• InChI: InChI=1S/C13H21OP.C12H20O.C11H15F.C11H19NS.2C11H17N.2C11H16.C10H13F.C10H15N.6C5H12.2C4H10/c1-10-8-7-9-11(15(5,6)14)12(10)13(2,3)4;1-11(2,3)9-7-8-10(13-9)12(4,5)6;1-8-6-5-7-9(12)10(8)11(2,3)4;1-10(2,3)8-7-12-9(13-8)11(4,5)6;2*1-8-6-7-12-9(2)10(8)11(3,4)5;2*1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-6-4-5-7-9(8)11;1-8-6-5-7-11-9(8)10(2,3)4;6*1-5(2,3)4;2*1-4(2)3/h7-9H,1-6H3;7-8H,1-6H3;5-7H,1-4H3;7H,1-6H3;2*6-7H,1-5H3;2*5-8H,1-4H3;4-7H,1-3H3;5-7H,1-4H3;6*1-4H3;2*4H,1-3H3
• InChIKey: VMBWHKNNMCRZJZ-UHFFFAOYSA-N
• XLogP: 48.61
• TPSA: 81.77 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 1
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2241.79
LogP ≤ 5	48.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-dimethylphosphoryl-3-methylbenzene;bis(3-tert-butyl-2,4-dimethylpyridine);1-tert-butyl-2-fluorobenzene;2-tert-butyl-1-fluoro-3-methylbenzene;bis(1-tert-butyl-2-methylbenzene);2-tert-butyl-3-methylpyridine;2,5-ditert-butylfuran;2,5-ditert-butyl-1,3-thiazole;hexakis(2,2-dimethylpropane);bis(2-methylpropane)?

The IUPAC name of 2-tert-butyl-1-dimethylphosphoryl-3-methylbenzene;bis(3-tert-butyl-2,4-dimethylpyridine);1-tert-butyl-2-fluorobenzene;2-tert-butyl-1-fluoro-3-methylbenzene;bis(1-tert-butyl-2-methylbenzene);2-tert-butyl-3-methylpyridine;2,5-ditert-butylfuran;2,5-ditert-butyl-1,3-thiazole;hexakis(2,2-dimethylpropane);bis(2-methylpropane) (CID 161336336) is 2-tert-butyl-1-dimethylphosphoryl-3-methylbenzene;bis(3-tert-butyl-2,4-dimethylpyridine);1-tert-butyl-2-fluorobenzene;2-tert-butyl-1-fluoro-3-methylbenzene;bis(1-tert-butyl-2-methylbenzene);2-tert-butyl-3-methylpyridine;2,5-ditert-butylfuran;2,5-ditert-butyl-1,3-thiazole;hexakis(2,2-dimethylpropane);bis(2-methylpropane).

What is the SMILES notation for 2-tert-butyl-1-dimethylphosphoryl-3-methylbenzene;bis(3-tert-butyl-2,4-dimethylpyridine);1-tert-butyl-2-fluorobenzene;2-tert-butyl-1-fluoro-3-methylbenzene;bis(1-tert-butyl-2-methylbenzene);2-tert-butyl-3-methylpyridine;2,5-ditert-butylfuran;2,5-ditert-butyl-1,3-thiazole;hexakis(2,2-dimethylpropane);bis(2-methylpropane)?

The canonical SMILES for 2-tert-butyl-1-dimethylphosphoryl-3-methylbenzene;bis(3-tert-butyl-2,4-dimethylpyridine);1-tert-butyl-2-fluorobenzene;2-tert-butyl-1-fluoro-3-methylbenzene;bis(1-tert-butyl-2-methylbenzene);2-tert-butyl-3-methylpyridine;2,5-ditert-butylfuran;2,5-ditert-butyl-1,3-thiazole;hexakis(2,2-dimethylpropane);bis(2-methylpropane) 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)c1ccc(C(C)(C)C)o1.CC(C)(C)c1ccccc1F.CC(C)(C)c1cnc(C(C)(C)C)s1.CC(C)C.CC(C)C.Cc1cccc(F)c1C(C)(C)C.Cc1cccc(P(C)(C)=O)c1C(C)(C)C.Cc1ccccc1C(C)(C)C.Cc1ccccc1C(C)(C)C.Cc1cccnc1C(C)(C)C.Cc1ccnc(C)c1C(C)(C)C.Cc1ccnc(C)c1C(C)(C)C.

What is the InChIKey of 2-tert-butyl-1-dimethylphosphoryl-3-methylbenzene;bis(3-tert-butyl-2,4-dimethylpyridine);1-tert-butyl-2-fluorobenzene;2-tert-butyl-1-fluoro-3-methylbenzene;bis(1-tert-butyl-2-methylbenzene);2-tert-butyl-3-methylpyridine;2,5-ditert-butylfuran;2,5-ditert-butyl-1,3-thiazole;hexakis(2,2-dimethylpropane);bis(2-methylpropane)?

The InChIKey is VMBWHKNNMCRZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21OP.C12H20O.C11H15F.C11H19NS.2C11H17N.2C11H16.C10H13F.C10H15N.6C5H12.2C4H10/c1-10-8-7-9-11(15(5,6)14)12(10)13(2,3)4;1-11(2,3)9-7-8-10(13-9)12(4,5)6;1-8-6-5-7-9(12)10(8)11(2,3)4;1-10(2,3)8-7-12-9(13-8)11(4,5)6;2*1-8-6-7-12-9(2)10(8)11(3,4)5;2*1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-6-4-5-7-9(8)11;1-8-6-5-7-11-9(8)10(2,3)4;6*1-5(2,3)4;2*1-4(2)3/h7-9H,1-6H3;7-8H,1-6H3;5-7H,1-4H3;7H,1-6H3;2*6-7H,1-5H3;2*5-8H,1-4H3;4-7H,1-3H3;5-7H,1-4H3;6*1-4H3;2*4H,1-3H3.

What are the key properties of 2-tert-butyl-1-dimethylphosphoryl-3-methylbenzene;bis(3-tert-butyl-2,4-dimethylpyridine);1-tert-butyl-2-fluorobenzene;2-tert-butyl-1-fluoro-3-methylbenzene;bis(1-tert-butyl-2-methylbenzene);2-tert-butyl-3-methylpyridine;2,5-ditert-butylfuran;2,5-ditert-butyl-1,3-thiazole;hexakis(2,2-dimethylpropane);bis(2-methylpropane)?

2-tert-butyl-1-dimethylphosphoryl-3-methylbenzene;bis(3-tert-butyl-2,4-dimethylpyridine);1-tert-butyl-2-fluorobenzene;2-tert-butyl-1-fluoro-3-methylbenzene;bis(1-tert-butyl-2-methylbenzene);2-tert-butyl-3-methylpyridine;2,5-ditert-butylfuran;2,5-ditert-butyl-1,3-thiazole;hexakis(2,2-dimethylpropane);bis(2-methylpropane) has a molecular weight of 2241.79 g/mol, XLogP of 48.61, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-1-dimethylphosphoryl-3-methylbenzene;bis(3-tert-butyl-2,4-dimethylpyridine);1-tert-butyl-2-fluorobenzene;2-tert-butyl-1-fluoro-3-methylbenzene;bis(1-tert-butyl-2-methylbenzene);2-tert-butyl-3-methylpyridine;2,5-ditert-butylfuran;2,5-ditert-butyl-1,3-thiazole;hexakis(2,2-dimethylpropane);bis(2-methylpropane) is sourced from PubChem (CID 161336336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).