tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2,6-dichloropurin-9-yl)methyl]cyclopropyl]methoxy]-dimethylsilane

C23H40Cl2N4O2Si2 — CID 11071526

About tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2,6-dichloropurin-9-yl)methyl]cyclopropyl]methoxy]-dimethylsilane

tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2,6-dichloropurin-9-yl)methyl]cyclopropyl]methoxy]-dimethylsilane (PubChem CID 11071526) has the molecular formula C23H40Cl2N4O2Si2 and a molecular weight of 531.68 g/mol. Its IUPAC name is tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2,6-dichloropurin-9-yl)methyl]cyclopropyl]methoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2,6-dichloropurin-9-yl)methyl]cyclopropyl]methoxy]-dimethylsilane
• PubChem CID: 11071526
• Molecular Formula: C23H40Cl2N4O2Si2
• Molecular Weight: 531.68 g/mol
• Exact Mass: 530.21
• IUPAC Name: tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2,6-dichloropurin-9-yl)methyl]cyclopropyl]methoxy]-dimethylsilane
• SMILES: CC(C)(C)[Si](C)(C)OCC1C(CO[Si](C)(C)C(C)(C)C)C1Cn1cnc2c(Cl)nc(Cl)nc21
• InChI: InChI=1S/C23H40Cl2N4O2Si2/c1-22(2,3)32(7,8)30-12-16-15(17(16)13-31-33(9,10)23(4,5)6)11-29-14-26-18-19(24)27-21(25)28-20(18)29/h14-17H,11-13H2,1-10H3
• InChIKey: XFSAMUKNKZORMT-UHFFFAOYSA-N
• XLogP: 7.04
• TPSA: 62.06 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.68
LogP ≤ 5	7.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2,6-dichloropurin-9-yl)methyl]cyclopropyl]methoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2,6-dichloropurin-9-yl)methyl]cyclopropyl]methoxy]-dimethylsilane (CID 11071526) is tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2,6-dichloropurin-9-yl)methyl]cyclopropyl]methoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2,6-dichloropurin-9-yl)methyl]cyclopropyl]methoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2,6-dichloropurin-9-yl)methyl]cyclopropyl]methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCC1C(CO[Si](C)(C)C(C)(C)C)C1Cn1cnc2c(Cl)nc(Cl)nc21.

What is the InChIKey of tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2,6-dichloropurin-9-yl)methyl]cyclopropyl]methoxy]-dimethylsilane?

The InChIKey is XFSAMUKNKZORMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40Cl2N4O2Si2/c1-22(2,3)32(7,8)30-12-16-15(17(16)13-31-33(9,10)23(4,5)6)11-29-14-26-18-19(24)27-21(25)28-20(18)29/h14-17H,11-13H2,1-10H3.

What are the key properties of tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2,6-dichloropurin-9-yl)methyl]cyclopropyl]methoxy]-dimethylsilane?

tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2,6-dichloropurin-9-yl)methyl]cyclopropyl]methoxy]-dimethylsilane has a molecular weight of 531.68 g/mol, XLogP of 7.04, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2,6-dichloropurin-9-yl)methyl]cyclopropyl]methoxy]-dimethylsilane is sourced from PubChem (CID 11071526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).