tert-butyl-[[1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methoxy]-dimethylsilane

C25H44N2O2Si2 — CID 175879387

About tert-butyl-[[1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methoxy]-dimethylsilane

tert-butyl-[[1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methoxy]-dimethylsilane (PubChem CID 175879387) has the molecular formula C25H44N2O2Si2 and a molecular weight of 460.81 g/mol. Its IUPAC name is tert-butyl-[[1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[[1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methoxy]-dimethylsilane
• PubChem CID: 175879387
• Molecular Formula: C25H44N2O2Si2
• Molecular Weight: 460.81 g/mol
• Exact Mass: 460.29
• IUPAC Name: tert-butyl-[[1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methoxy]-dimethylsilane
• SMILES: CC(C)(C)[Si](C)(C)OCC1(CO[Si](C)(C)C(C)(C)C)NCCc2c1[nH]c1ccccc21
• InChI: InChI=1S/C25H44N2O2Si2/c1-23(2,3)30(7,8)28-17-25(18-29-31(9,10)24(4,5)6)22-20(15-16-26-25)19-13-11-12-14-21(19)27-22/h11-14,26-27H,15-18H2,1-10H3
• InChIKey: IHPAHLAMKLOJDN-UHFFFAOYSA-N
• XLogP: 6.55
• TPSA: 46.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.81
LogP ≤ 5	6.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[[1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methoxy]-dimethylsilane (CID 175879387) is tert-butyl-[[1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[[1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[[1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCC1(CO[Si](C)(C)C(C)(C)C)NCCc2c1[nH]c1ccccc21.

What is the InChIKey of tert-butyl-[[1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methoxy]-dimethylsilane?

The InChIKey is IHPAHLAMKLOJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44N2O2Si2/c1-23(2,3)30(7,8)28-17-25(18-29-31(9,10)24(4,5)6)22-20(15-16-26-25)19-13-11-12-14-21(19)27-22/h11-14,26-27H,15-18H2,1-10H3.

What are the key properties of tert-butyl-[[1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methoxy]-dimethylsilane?

tert-butyl-[[1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methoxy]-dimethylsilane has a molecular weight of 460.81 g/mol, XLogP of 6.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[[1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 175879387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).