2-[butan-2-yloxy-(trimethylsilylamino)phosphanyl]-1,3,5-tritert-butylbenzene

C25H48NOPSi — CID 134932795

About 2-[butan-2-yloxy-(trimethylsilylamino)phosphanyl]-1,3,5-tritert-butylbenzene

2-[butan-2-yloxy-(trimethylsilylamino)phosphanyl]-1,3,5-tritert-butylbenzene (PubChem CID 134932795) has the molecular formula C25H48NOPSi and a molecular weight of 437.73 g/mol. Its IUPAC name is 2-[butan-2-yloxy-(trimethylsilylamino)phosphanyl]-1,3,5-tritert-butylbenzene.

Molecular Properties

• Compound Name: 2-[butan-2-yloxy-(trimethylsilylamino)phosphanyl]-1,3,5-tritert-butylbenzene
• PubChem CID: 134932795
• Molecular Formula: C25H48NOPSi
• Molecular Weight: 437.73 g/mol
• Exact Mass: 437.32
• IUPAC Name: 2-[butan-2-yloxy-(trimethylsilylamino)phosphanyl]-1,3,5-tritert-butylbenzene
• SMILES: CCC(C)OP(N[Si](C)(C)C)c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C
• InChI: InChI=1S/C25H48NOPSi/c1-15-18(2)27-28(26-29(12,13)14)22-20(24(6,7)8)16-19(23(3,4)5)17-21(22)25(9,10)11/h16-18,26H,15H2,1-14H3
• InChIKey: CWUZZGRKAMMZRO-UHFFFAOYSA-N
• XLogP: 7.76
• TPSA: 21.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.73
LogP ≤ 5	7.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yloxy-(trimethylsilylamino)phosphanyl]-1,3,5-tritert-butylbenzene?

The IUPAC name of 2-[butan-2-yloxy-(trimethylsilylamino)phosphanyl]-1,3,5-tritert-butylbenzene (CID 134932795) is 2-[butan-2-yloxy-(trimethylsilylamino)phosphanyl]-1,3,5-tritert-butylbenzene.

What is the SMILES notation for 2-[butan-2-yloxy-(trimethylsilylamino)phosphanyl]-1,3,5-tritert-butylbenzene?

The canonical SMILES for 2-[butan-2-yloxy-(trimethylsilylamino)phosphanyl]-1,3,5-tritert-butylbenzene is CCC(C)OP(N[Si](C)(C)C)c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C.

What is the InChIKey of 2-[butan-2-yloxy-(trimethylsilylamino)phosphanyl]-1,3,5-tritert-butylbenzene?

The InChIKey is CWUZZGRKAMMZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48NOPSi/c1-15-18(2)27-28(26-29(12,13)14)22-20(24(6,7)8)16-19(23(3,4)5)17-21(22)25(9,10)11/h16-18,26H,15H2,1-14H3.

What are the key properties of 2-[butan-2-yloxy-(trimethylsilylamino)phosphanyl]-1,3,5-tritert-butylbenzene?

2-[butan-2-yloxy-(trimethylsilylamino)phosphanyl]-1,3,5-tritert-butylbenzene has a molecular weight of 437.73 g/mol, XLogP of 7.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[butan-2-yloxy-(trimethylsilylamino)phosphanyl]-1,3,5-tritert-butylbenzene is sourced from PubChem (CID 134932795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).