bis(trimethylsilyl) 2-[methyl(3-triethoxysilylpropyl)amino]butanedioate

C20H45NO7Si3 — CID 88852233

IUPACbis(trimethylsilyl) 2-[methyl(3-triethoxysilylpropyl)amino]butanedioate
SMILESCCO[Si](CCCN(C)C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)(OCC)OCC
InChIInChI=1S/C20H45NO7Si3/c1-11-24-31(25-12-2,26-13-3)16-14-15-21(4)18(20(23)28-30(8,9)10)17-19(22)27-29(5,6)7/h18H,11-17H2,1-10H3
InChIKeyYWWCYLHHGBOMHR-UHFFFAOYSA-N
MW495.84 g/mol
LogP3.87
Rot. Bonds16

About bis(trimethylsilyl) 2-[methyl(3-triethoxysilylpropyl)amino]butanedioate

bis(trimethylsilyl) 2-[methyl(3-triethoxysilylpropyl)amino]butanedioate (PubChem CID 88852233) has the molecular formula C20H45NO7Si3 and a molecular weight of 495.84 g/mol. Its IUPAC name is bis(trimethylsilyl) 2-[methyl(3-triethoxysilylpropyl)amino]butanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 2-[methyl(3-triethoxysilylpropyl)amino]butanedioate
PubChem CID88852233
Molecular FormulaC20H45NO7Si3
Molecular Weight495.84 g/mol
Exact Mass495.25
IUPAC Namebis(trimethylsilyl) 2-[methyl(3-triethoxysilylpropyl)amino]butanedioate
SMILESCCO[Si](CCCN(C)C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)(OCC)OCC
InChIInChI=1S/C20H45NO7Si3/c1-11-24-31(25-12-2,26-13-3)16-14-15-21(4)18(20(23)28-30(8,9)10)17-19(22)27-29(5,6)7/h18H,11-17H2,1-10H3
InChIKeyYWWCYLHHGBOMHR-UHFFFAOYSA-N
XLogP3.87
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.84
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 bis(trimethylsilyl) 2-[methyl(3-triethoxysilylpropyl)amino]butanedioate?
The IUPAC name of bis(trimethylsilyl) 2-[methyl(3-triethoxysilylpropyl)amino]butanedioate (CID 88852233) is bis(trimethylsilyl) 2-[methyl(3-triethoxysilylpropyl)amino]butanedioate.
What is the SMILES notation for bis(trimethylsilyl) 2-[methyl(3-triethoxysilylpropyl)amino]butanedioate?
The canonical SMILES for bis(trimethylsilyl) 2-[methyl(3-triethoxysilylpropyl)amino]butanedioate is CCO[Si](CCCN(C)C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)(OCC)OCC.
What is the InChIKey of bis(trimethylsilyl) 2-[methyl(3-triethoxysilylpropyl)amino]butanedioate?
The InChIKey is YWWCYLHHGBOMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H45NO7Si3/c1-11-24-31(25-12-2,26-13-3)16-14-15-21(4)18(20(23)28-30(8,9)10)17-19(22)27-29(5,6)7/h18H,11-17H2,1-10H3.
What are the key properties of bis(trimethylsilyl) 2-[methyl(3-triethoxysilylpropyl)amino]butanedioate?
bis(trimethylsilyl) 2-[methyl(3-triethoxysilylpropyl)amino]butanedioate has a molecular weight of 495.84 g/mol, XLogP of 3.87, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) 2-[methyl(3-triethoxysilylpropyl)amino]butanedioate is sourced from PubChem (CID 88852233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).