tert-butyl-[[3-[tert-butyl(dimethyl)silyl]oxy-5-(4-chloropyrrolo[3,2-c]pyridin-1-yl)oxolan-2-yl]methoxy]-dimethylsilane

C24H41ClN2O3Si2 — CID 140731389

About tert-butyl-[[3-[tert-butyl(dimethyl)silyl]oxy-5-(4-chloropyrrolo[3,2-c]pyridin-1-yl)oxolan-2-yl]methoxy]-dimethylsilane

tert-butyl-[[3-[tert-butyl(dimethyl)silyl]oxy-5-(4-chloropyrrolo[3,2-c]pyridin-1-yl)oxolan-2-yl]methoxy]-dimethylsilane (PubChem CID 140731389) has the molecular formula C24H41ClN2O3Si2 and a molecular weight of 497.23 g/mol. Its IUPAC name is tert-butyl-[[3-[tert-butyl(dimethyl)silyl]oxy-5-(4-chloropyrrolo[3,2-c]pyridin-1-yl)oxolan-2-yl]methoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[[3-[tert-butyl(dimethyl)silyl]oxy-5-(4-chloropyrrolo[3,2-c]pyridin-1-yl)oxolan-2-yl]methoxy]-dimethylsilane
• PubChem CID: 140731389
• Molecular Formula: C24H41ClN2O3Si2
• Molecular Weight: 497.23 g/mol
• Exact Mass: 496.23
• IUPAC Name: tert-butyl-[[3-[tert-butyl(dimethyl)silyl]oxy-5-(4-chloropyrrolo[3,2-c]pyridin-1-yl)oxolan-2-yl]methoxy]-dimethylsilane
• SMILES: CC(C)(C)[Si](C)(C)OCC1OC(n2ccc3c(Cl)nccc32)CC1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C24H41ClN2O3Si2/c1-23(2,3)31(7,8)28-16-20-19(30-32(9,10)24(4,5)6)15-21(29-20)27-14-12-17-18(27)11-13-26-22(17)25/h11-14,19-21H,15-16H2,1-10H3
• InChIKey: SLVZAKXPDHLEMI-UHFFFAOYSA-N
• XLogP: 7.39
• TPSA: 45.51 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.23
LogP ≤ 5	7.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[3-[tert-butyl(dimethyl)silyl]oxy-5-(4-chloropyrrolo[3,2-c]pyridin-1-yl)oxolan-2-yl]methoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[[3-[tert-butyl(dimethyl)silyl]oxy-5-(4-chloropyrrolo[3,2-c]pyridin-1-yl)oxolan-2-yl]methoxy]-dimethylsilane (CID 140731389) is tert-butyl-[[3-[tert-butyl(dimethyl)silyl]oxy-5-(4-chloropyrrolo[3,2-c]pyridin-1-yl)oxolan-2-yl]methoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[[3-[tert-butyl(dimethyl)silyl]oxy-5-(4-chloropyrrolo[3,2-c]pyridin-1-yl)oxolan-2-yl]methoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[[3-[tert-butyl(dimethyl)silyl]oxy-5-(4-chloropyrrolo[3,2-c]pyridin-1-yl)oxolan-2-yl]methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCC1OC(n2ccc3c(Cl)nccc32)CC1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-[[3-[tert-butyl(dimethyl)silyl]oxy-5-(4-chloropyrrolo[3,2-c]pyridin-1-yl)oxolan-2-yl]methoxy]-dimethylsilane?

The InChIKey is SLVZAKXPDHLEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41ClN2O3Si2/c1-23(2,3)31(7,8)28-16-20-19(30-32(9,10)24(4,5)6)15-21(29-20)27-14-12-17-18(27)11-13-26-22(17)25/h11-14,19-21H,15-16H2,1-10H3.

What are the key properties of tert-butyl-[[3-[tert-butyl(dimethyl)silyl]oxy-5-(4-chloropyrrolo[3,2-c]pyridin-1-yl)oxolan-2-yl]methoxy]-dimethylsilane?

tert-butyl-[[3-[tert-butyl(dimethyl)silyl]oxy-5-(4-chloropyrrolo[3,2-c]pyridin-1-yl)oxolan-2-yl]methoxy]-dimethylsilane has a molecular weight of 497.23 g/mol, XLogP of 7.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[[3-[tert-butyl(dimethyl)silyl]oxy-5-(4-chloropyrrolo[3,2-c]pyridin-1-yl)oxolan-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 140731389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).