triethylsilyl 2-methyl-3-[methyl(3-triethoxysilylpropyl)amino]propanoate

C20H45NO5Si2 — CID 88852119

IUPACtriethylsilyl 2-methyl-3-[methyl(3-triethoxysilylpropyl)amino]propanoate
SMILESCCO[Si](CCCN(C)CC(C)C(=O)O[Si](CC)(CC)CC)(OCC)OCC
InChIInChI=1S/C20H45NO5Si2/c1-9-23-28(24-10-2,25-11-3)17-15-16-21(8)18-19(7)20(22)26-27(12-4,13-5)14-6/h19H,9-18H2,1-8H3
InChIKeyBBWMQGBNUUSKHF-UHFFFAOYSA-N
MW435.75 g/mol
LogP4.54
Rot. Bonds17

About triethylsilyl 2-methyl-3-[methyl(3-triethoxysilylpropyl)amino]propanoate

triethylsilyl 2-methyl-3-[methyl(3-triethoxysilylpropyl)amino]propanoate (PubChem CID 88852119) has the molecular formula C20H45NO5Si2 and a molecular weight of 435.75 g/mol. Its IUPAC name is triethylsilyl 2-methyl-3-[methyl(3-triethoxysilylpropyl)amino]propanoate.

Molecular Properties

Compound Nametriethylsilyl 2-methyl-3-[methyl(3-triethoxysilylpropyl)amino]propanoate
PubChem CID88852119
Molecular FormulaC20H45NO5Si2
Molecular Weight435.75 g/mol
Exact Mass435.28
IUPAC Nametriethylsilyl 2-methyl-3-[methyl(3-triethoxysilylpropyl)amino]propanoate
SMILESCCO[Si](CCCN(C)CC(C)C(=O)O[Si](CC)(CC)CC)(OCC)OCC
InChIInChI=1S/C20H45NO5Si2/c1-9-23-28(24-10-2,25-11-3)17-15-16-21(8)18-19(7)20(22)26-27(12-4,13-5)14-6/h19H,9-18H2,1-8H3
InChIKeyBBWMQGBNUUSKHF-UHFFFAOYSA-N
XLogP4.54
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.75
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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]-2-methylpropanoate
CID 88852273
triethylsilyl 2-methyl-3-(3-triethoxysilylpropylamino)propanoate
CID 88852142
trimethylsilyl 3-[3-[methoxy(dimethyl)silyl]propyl-methylamino]-2-methylpropanoate
CID 88852006
1-(2-aminoethyl)-1-(3-triethoxysilylpropyl)urea
CID 123366285
4,6-dimethyl-1,9-bis(triethoxysilyl)nonan-5-one
CID 87593623
trimethylsilyl 2-[3-[butan-2-yloxy(diethoxy)silyl]propyl-methylamino]acetate
CID 140591318
bis(triethylsilyl) 2-[3-[ethoxy(dimethyl)silyl]propyl-methylamino]butanedioate
CID 88852131
bis(triethylsilyl) 2-[3-[diethoxy(methyl)silyl]propyl-methylamino]butanedioate
CID 88852114
trimethylsilyl 3-[3-[ethoxy(dimethyl)silyl]propyl-trimethylsilylamino]-2-methylpropanoate
CID 88852108
triethylsilyl 2,2-dimethyl-5-triethoxysilylpentanoate
CID 86039074
bis(trimethylsilyl) 2-[methyl(3-triethoxysilylpropyl)amino]butanedioate
CID 88852233
methyl 2-methyl-3-[methyl(octyl)amino]propanoate
CID 62011879

Frequently Asked Questions

What is the IUPAC name of triethylsilyl 2-methyl-3-[methyl(3-triethoxysilylpropyl)amino]propanoate?
The IUPAC name of triethylsilyl 2-methyl-3-[methyl(3-triethoxysilylpropyl)amino]propanoate (CID 88852119) is triethylsilyl 2-methyl-3-[methyl(3-triethoxysilylpropyl)amino]propanoate.
What is the SMILES notation for triethylsilyl 2-methyl-3-[methyl(3-triethoxysilylpropyl)amino]propanoate?
The canonical SMILES for triethylsilyl 2-methyl-3-[methyl(3-triethoxysilylpropyl)amino]propanoate is CCO[Si](CCCN(C)CC(C)C(=O)O[Si](CC)(CC)CC)(OCC)OCC.
What is the InChIKey of triethylsilyl 2-methyl-3-[methyl(3-triethoxysilylpropyl)amino]propanoate?
The InChIKey is BBWMQGBNUUSKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H45NO5Si2/c1-9-23-28(24-10-2,25-11-3)17-15-16-21(8)18-19(7)20(22)26-27(12-4,13-5)14-6/h19H,9-18H2,1-8H3.
What are the key properties of triethylsilyl 2-methyl-3-[methyl(3-triethoxysilylpropyl)amino]propanoate?
triethylsilyl 2-methyl-3-[methyl(3-triethoxysilylpropyl)amino]propanoate has a molecular weight of 435.75 g/mol, XLogP of 4.54, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for triethylsilyl 2-methyl-3-[methyl(3-triethoxysilylpropyl)amino]propanoate is sourced from PubChem (CID 88852119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).