bis(triethylsilyl) 2-[3-[ethoxy(dimethyl)silyl]propyl-methylamino]butanedioate

C24H53NO5Si3 — CID 88852131

IUPACbis(triethylsilyl) 2-[3-[ethoxy(dimethyl)silyl]propyl-methylamino]butanedioate
SMILESCCO[Si](C)(C)CCCN(C)C(CC(=O)O[Si](CC)(CC)CC)C(=O)O[Si](CC)(CC)CC
InChIInChI=1S/C24H53NO5Si3/c1-11-28-31(9,10)20-18-19-25(8)22(24(27)30-33(15-5,16-6)17-7)21-23(26)29-32(12-2,13-3)14-4/h22H,11-21H2,1-10H3
InChIKeyDJTKWUDXANGKJY-UHFFFAOYSA-N
MW519.95 g/mol
LogP6.41
Rot. Bonds18

About bis(triethylsilyl) 2-[3-[ethoxy(dimethyl)silyl]propyl-methylamino]butanedioate

bis(triethylsilyl) 2-[3-[ethoxy(dimethyl)silyl]propyl-methylamino]butanedioate (PubChem CID 88852131) has the molecular formula C24H53NO5Si3 and a molecular weight of 519.95 g/mol. Its IUPAC name is bis(triethylsilyl) 2-[3-[ethoxy(dimethyl)silyl]propyl-methylamino]butanedioate.

Molecular Properties

Compound Namebis(triethylsilyl) 2-[3-[ethoxy(dimethyl)silyl]propyl-methylamino]butanedioate
PubChem CID88852131
Molecular FormulaC24H53NO5Si3
Molecular Weight519.95 g/mol
Exact Mass519.32
IUPAC Namebis(triethylsilyl) 2-[3-[ethoxy(dimethyl)silyl]propyl-methylamino]butanedioate
SMILESCCO[Si](C)(C)CCCN(C)C(CC(=O)O[Si](CC)(CC)CC)C(=O)O[Si](CC)(CC)CC
InChIInChI=1S/C24H53NO5Si3/c1-11-28-31(9,10)20-18-19-25(8)22(24(27)30-33(15-5,16-6)17-7)21-23(26)29-32(12-2,13-3)14-4/h22H,11-21H2,1-10H3
InChIKeyDJTKWUDXANGKJY-UHFFFAOYSA-N
XLogP6.41
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.95
LogP ≤ 56.41
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

bis(triethylsilyl) 2-[3-[diethoxy(methyl)silyl]propyl-methylamino]butanedioate
CID 88852114
bis(trimethylsilyl) 2-[methyl(3-triethoxysilylpropyl)amino]butanedioate
CID 88852233
bis(triethylsilyl) 2-[3-[dimethoxy(methyl)silyl]propyl-ethylamino]butanedioate
CID 88852356
bis(trimethylsilyl) 2-[methyl(3-trimethoxysilylpropyl)amino]butanedioate
CID 88852299
triethylsilyl 3-[3-[diethoxy(methyl)silyl]propyl-ethylamino]propanoate
CID 88852037
triethylsilyl 3-[3-[diethoxy(methyl)silyl]propyl-ethylamino]-2-methylpropanoate
CID 88852273
triethylsilyl 2-methyl-3-[methyl(3-triethoxysilylpropyl)amino]propanoate
CID 88852119
triethylsilyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-ethylamino]acetate
CID 140591360
[tert-butyl(dimethyl)silyl] 3-[3-[ethoxy(dimethyl)silyl]propyl-methylamino]propanoate
CID 88852155
trimethylsilyl 3-[3-[ethoxy(dimethyl)silyl]propyl-trimethylsilylamino]-2-methylpropanoate
CID 88852108
triethylsilyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-trimethylsilylamino]acetate
CID 140591135
triethylsilyl N-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl]-N-methylcarbamate
CID 140591113

Frequently Asked Questions

What is the IUPAC name of bis(triethylsilyl) 2-[3-[ethoxy(dimethyl)silyl]propyl-methylamino]butanedioate?
The IUPAC name of bis(triethylsilyl) 2-[3-[ethoxy(dimethyl)silyl]propyl-methylamino]butanedioate (CID 88852131) is bis(triethylsilyl) 2-[3-[ethoxy(dimethyl)silyl]propyl-methylamino]butanedioate.
What is the SMILES notation for bis(triethylsilyl) 2-[3-[ethoxy(dimethyl)silyl]propyl-methylamino]butanedioate?
The canonical SMILES for bis(triethylsilyl) 2-[3-[ethoxy(dimethyl)silyl]propyl-methylamino]butanedioate is CCO[Si](C)(C)CCCN(C)C(CC(=O)O[Si](CC)(CC)CC)C(=O)O[Si](CC)(CC)CC.
What is the InChIKey of bis(triethylsilyl) 2-[3-[ethoxy(dimethyl)silyl]propyl-methylamino]butanedioate?
The InChIKey is DJTKWUDXANGKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H53NO5Si3/c1-11-28-31(9,10)20-18-19-25(8)22(24(27)30-33(15-5,16-6)17-7)21-23(26)29-32(12-2,13-3)14-4/h22H,11-21H2,1-10H3.
What are the key properties of bis(triethylsilyl) 2-[3-[ethoxy(dimethyl)silyl]propyl-methylamino]butanedioate?
bis(triethylsilyl) 2-[3-[ethoxy(dimethyl)silyl]propyl-methylamino]butanedioate has a molecular weight of 519.95 g/mol, XLogP of 6.41, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(triethylsilyl) 2-[3-[ethoxy(dimethyl)silyl]propyl-methylamino]butanedioate is sourced from PubChem (CID 88852131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).