tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propylamino]acetate

C21H47NO4Si2 — CID 140591101

About tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propylamino]acetate

tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propylamino]acetate (PubChem CID 140591101) has the molecular formula C21H47NO4Si2 and a molecular weight of 433.78 g/mol. Its IUPAC name is tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propylamino]acetate.

Molecular Properties

• Compound Name: tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propylamino]acetate
• PubChem CID: 140591101
• Molecular Formula: C21H47NO4Si2
• Molecular Weight: 433.78 g/mol
• Exact Mass: 433.30
• IUPAC Name: tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propylamino]acetate
• SMILES: CCO[Si](C)(CCCNCC(=O)O[Si](C(C)C)(C(C)C)C(C)C)OC(C)CC
• InChI: InChI=1S/C21H47NO4Si2/c1-11-20(9)25-27(10,24-12-2)15-13-14-22-16-21(23)26-28(17(3)4,18(5)6)19(7)8/h17-20,22H,11-16H2,1-10H3
• InChIKey: IUKWCZZAHUYNNN-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 56.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 15
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.78
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propylamino]acetate?

The IUPAC name of tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propylamino]acetate (CID 140591101) is tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propylamino]acetate.

What is the SMILES notation for tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propylamino]acetate?

The canonical SMILES for tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propylamino]acetate is CCO[Si](C)(CCCNCC(=O)O[Si](C(C)C)(C(C)C)C(C)C)OC(C)CC.

What is the InChIKey of tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propylamino]acetate?

The InChIKey is IUKWCZZAHUYNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H47NO4Si2/c1-11-20(9)25-27(10,24-12-2)15-13-14-22-16-21(23)26-28(17(3)4,18(5)6)19(7)8/h17-20,22H,11-16H2,1-10H3.

What are the key properties of tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propylamino]acetate?

tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propylamino]acetate has a molecular weight of 433.78 g/mol, XLogP of 5.61, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propylamino]acetate is sourced from PubChem (CID 140591101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).