triethylsilyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-ethylamino]acetate

C20H45NO4Si2 — CID 140591360

IUPACtriethylsilyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-ethylamino]acetate
SMILESCCO[Si](C)(CCCN(CC)CC(=O)O[Si](CC)(CC)CC)OC(C)CC
InChIInChI=1S/C20H45NO4Si2/c1-9-19(7)24-26(8,23-11-3)17-15-16-21(10-2)18-20(22)25-27(12-4,13-5)14-6/h19H,9-18H2,1-8H3
InChIKeyHJRLSZARCYQTIE-UHFFFAOYSA-N
MW419.76 g/mol
LogP5.17
Rot. Bonds16

About triethylsilyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-ethylamino]acetate

triethylsilyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-ethylamino]acetate (PubChem CID 140591360) has the molecular formula C20H45NO4Si2 and a molecular weight of 419.76 g/mol. Its IUPAC name is triethylsilyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-ethylamino]acetate.

Molecular Properties

Compound Nametriethylsilyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-ethylamino]acetate
PubChem CID140591360
Molecular FormulaC20H45NO4Si2
Molecular Weight419.76 g/mol
Exact Mass419.29
IUPAC Nametriethylsilyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-ethylamino]acetate
SMILESCCO[Si](C)(CCCN(CC)CC(=O)O[Si](CC)(CC)CC)OC(C)CC
InChIInChI=1S/C20H45NO4Si2/c1-9-19(7)24-26(8,23-11-3)17-15-16-21(10-2)18-20(22)25-27(12-4,13-5)14-6/h19H,9-18H2,1-8H3
InChIKeyHJRLSZARCYQTIE-UHFFFAOYSA-N
XLogP5.17
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.76
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethylsilyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-ethylamino]acetate?
The IUPAC name of triethylsilyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-ethylamino]acetate (CID 140591360) is triethylsilyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-ethylamino]acetate.
What is the SMILES notation for triethylsilyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-ethylamino]acetate?
The canonical SMILES for triethylsilyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-ethylamino]acetate is CCO[Si](C)(CCCN(CC)CC(=O)O[Si](CC)(CC)CC)OC(C)CC.
What is the InChIKey of triethylsilyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-ethylamino]acetate?
The InChIKey is HJRLSZARCYQTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H45NO4Si2/c1-9-19(7)24-26(8,23-11-3)17-15-16-21(10-2)18-20(22)25-27(12-4,13-5)14-6/h19H,9-18H2,1-8H3.
What are the key properties of triethylsilyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-ethylamino]acetate?
triethylsilyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-ethylamino]acetate has a molecular weight of 419.76 g/mol, XLogP of 5.17, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triethylsilyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-ethylamino]acetate is sourced from PubChem (CID 140591360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).