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

C23H51NO4Si2 — CID 140591252

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

tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-ethylamino]acetate (PubChem CID 140591252) has the molecular formula C23H51NO4Si2 and a molecular weight of 461.84 g/mol. Its IUPAC name is tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-ethylamino]acetate.

Molecular Properties

• Compound Name: tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-ethylamino]acetate
• PubChem CID: 140591252
• Molecular Formula: C23H51NO4Si2
• Molecular Weight: 461.84 g/mol
• Exact Mass: 461.34
• IUPAC Name: tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-ethylamino]acetate
• SMILES: CCO[Si](C)(CCCN(CC)CC(=O)O[Si](C(C)C)(C(C)C)C(C)C)OC(C)CC
• InChI: InChI=1S/C23H51NO4Si2/c1-12-22(10)27-29(11,26-14-3)17-15-16-24(13-2)18-23(25)28-30(19(4)5,20(6)7)21(8)9/h19-22H,12-18H2,1-11H3
• InChIKey: UOXRPSMNTITJFY-UHFFFAOYSA-N
• XLogP: 6.34
• TPSA: 48.00 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 16
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.84
LogP ≤ 5	6.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'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)propyl-ethylamino]acetate?

The IUPAC name of tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-ethylamino]acetate (CID 140591252) is tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-ethylamino]acetate.

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

The canonical SMILES for tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-ethylamino]acetate is CCO[Si](C)(CCCN(CC)CC(=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)propyl-ethylamino]acetate?

The InChIKey is UOXRPSMNTITJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H51NO4Si2/c1-12-22(10)27-29(11,26-14-3)17-15-16-24(13-2)18-23(25)28-30(19(4)5,20(6)7)21(8)9/h19-22H,12-18H2,1-11H3.

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

tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-ethylamino]acetate has a molecular weight of 461.84 g/mol, XLogP of 6.34, 16 rotatable bonds, 0 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)propyl-ethylamino]acetate is sourced from PubChem (CID 140591252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).