triethylsilyl 3-[3-[diethoxy(methyl)silyl]propyl-ethylamino]-2-methylpropanoate

C20H45NO4Si2 — CID 88852273

IUPACtriethylsilyl 3-[3-[diethoxy(methyl)silyl]propyl-ethylamino]-2-methylpropanoate
SMILESCCO[Si](C)(CCCN(CC)CC(C)C(=O)O[Si](CC)(CC)CC)OCC
InChIInChI=1S/C20H45NO4Si2/c1-9-21(16-15-17-26(8,23-10-2)24-11-3)18-19(7)20(22)25-27(12-4,13-5)14-6/h19H,9-18H2,1-8H3
InChIKeyCSJDIPLXOWEAEC-UHFFFAOYSA-N
MW419.76 g/mol
LogP5.03
Rot. Bonds16

About triethylsilyl 3-[3-[diethoxy(methyl)silyl]propyl-ethylamino]-2-methylpropanoate

triethylsilyl 3-[3-[diethoxy(methyl)silyl]propyl-ethylamino]-2-methylpropanoate (PubChem CID 88852273) has the molecular formula C20H45NO4Si2 and a molecular weight of 419.76 g/mol. Its IUPAC name is triethylsilyl 3-[3-[diethoxy(methyl)silyl]propyl-ethylamino]-2-methylpropanoate.

Molecular Properties

Compound Nametriethylsilyl 3-[3-[diethoxy(methyl)silyl]propyl-ethylamino]-2-methylpropanoate
PubChem CID88852273
Molecular FormulaC20H45NO4Si2
Molecular Weight419.76 g/mol
Exact Mass419.29
IUPAC Nametriethylsilyl 3-[3-[diethoxy(methyl)silyl]propyl-ethylamino]-2-methylpropanoate
SMILESCCO[Si](C)(CCCN(CC)CC(C)C(=O)O[Si](CC)(CC)CC)OCC
InChIInChI=1S/C20H45NO4Si2/c1-9-21(16-15-17-26(8,23-10-2)24-11-3)18-19(7)20(22)25-27(12-4,13-5)14-6/h19H,9-18H2,1-8H3
InChIKeyCSJDIPLXOWEAEC-UHFFFAOYSA-N
XLogP5.03
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 ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

triethylsilyl 3-[3-[diethoxy(methyl)silyl]propyl-ethylamino]propanoate
CID 88852037
triethylsilyl 2-methyl-3-[methyl(3-triethoxysilylpropyl)amino]propanoate
CID 88852119
triethylsilyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-ethylamino]acetate
CID 140591360
bis(triethylsilyl) 2-[3-[diethoxy(methyl)silyl]propyl-methylamino]butanedioate
CID 88852114
N'-[3-[diethoxy(methyl)silyl]propyl]-N'-[3-(diethylamino)propyl]-N,N-diethylpropane-1,3-diamine
CID 140647314
triethylsilyl N-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl]-N-methylcarbamate
CID 140591113
trimethylsilyl 3-[3-[ethoxy(dimethyl)silyl]propyl-trimethylsilylamino]-2-methylpropanoate
CID 88852108
tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-ethylamino]acetate
CID 140591252
[tert-butyl(dimethyl)silyl] 3-[3-[diethoxy(methyl)silyl]propyl-ethylamino]propanoate
CID 88852109
3-[[3-(diethylamino)propyl-[3-(diethylamino)propyl-[3-(diethylamino)propyl-[3-(diethylamino)propyl-[3-(diethylamino)propyl-ethoxy-methylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-ethoxy-methylsilyl]-N,N-diethylpropan-1-amine
CID 171623497
triethylsilyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-trimethylsilylamino]acetate
CID 140591135
bis(triethylsilyl) 2-[3-[ethoxy(dimethyl)silyl]propyl-methylamino]butanedioate
CID 88852131

Frequently Asked Questions

What is the IUPAC name of triethylsilyl 3-[3-[diethoxy(methyl)silyl]propyl-ethylamino]-2-methylpropanoate?
The IUPAC name of triethylsilyl 3-[3-[diethoxy(methyl)silyl]propyl-ethylamino]-2-methylpropanoate (CID 88852273) is triethylsilyl 3-[3-[diethoxy(methyl)silyl]propyl-ethylamino]-2-methylpropanoate.
What is the SMILES notation for triethylsilyl 3-[3-[diethoxy(methyl)silyl]propyl-ethylamino]-2-methylpropanoate?
The canonical SMILES for triethylsilyl 3-[3-[diethoxy(methyl)silyl]propyl-ethylamino]-2-methylpropanoate is CCO[Si](C)(CCCN(CC)CC(C)C(=O)O[Si](CC)(CC)CC)OCC.
What is the InChIKey of triethylsilyl 3-[3-[diethoxy(methyl)silyl]propyl-ethylamino]-2-methylpropanoate?
The InChIKey is CSJDIPLXOWEAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H45NO4Si2/c1-9-21(16-15-17-26(8,23-10-2)24-11-3)18-19(7)20(22)25-27(12-4,13-5)14-6/h19H,9-18H2,1-8H3.
What are the key properties of triethylsilyl 3-[3-[diethoxy(methyl)silyl]propyl-ethylamino]-2-methylpropanoate?
triethylsilyl 3-[3-[diethoxy(methyl)silyl]propyl-ethylamino]-2-methylpropanoate has a molecular weight of 419.76 g/mol, XLogP of 5.03, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triethylsilyl 3-[3-[diethoxy(methyl)silyl]propyl-ethylamino]-2-methylpropanoate is sourced from PubChem (CID 88852273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).