bis(triethylsilyl) 2-[3-[diethoxy(methyl)silyl]propyl-methylamino]butanedioate

C25H55NO6Si3 — CID 88852114

IUPACbis(triethylsilyl) 2-[3-[diethoxy(methyl)silyl]propyl-methylamino]butanedioate
SMILESCCO[Si](C)(CCCN(C)C(CC(=O)O[Si](CC)(CC)CC)C(=O)O[Si](CC)(CC)CC)OCC
InChIInChI=1S/C25H55NO6Si3/c1-11-29-33(10,30-12-2)21-19-20-26(9)23(25(28)32-35(16-6,17-7)18-8)22-24(27)31-34(13-3,14-4)15-5/h23H,11-22H2,1-10H3
InChIKeyUXWLGKHNQYZRDO-UHFFFAOYSA-N
MW549.97 g/mol
LogP6.31
Rot. Bonds20

About bis(triethylsilyl) 2-[3-[diethoxy(methyl)silyl]propyl-methylamino]butanedioate

bis(triethylsilyl) 2-[3-[diethoxy(methyl)silyl]propyl-methylamino]butanedioate (PubChem CID 88852114) has the molecular formula C25H55NO6Si3 and a molecular weight of 549.97 g/mol. Its IUPAC name is bis(triethylsilyl) 2-[3-[diethoxy(methyl)silyl]propyl-methylamino]butanedioate.

Molecular Properties

Compound Namebis(triethylsilyl) 2-[3-[diethoxy(methyl)silyl]propyl-methylamino]butanedioate
PubChem CID88852114
Molecular FormulaC25H55NO6Si3
Molecular Weight549.97 g/mol
Exact Mass549.33
IUPAC Namebis(triethylsilyl) 2-[3-[diethoxy(methyl)silyl]propyl-methylamino]butanedioate
SMILESCCO[Si](C)(CCCN(C)C(CC(=O)O[Si](CC)(CC)CC)C(=O)O[Si](CC)(CC)CC)OCC
InChIInChI=1S/C25H55NO6Si3/c1-11-29-33(10,30-12-2)21-19-20-26(9)23(25(28)32-35(16-6,17-7)18-8)22-24(27)31-34(13-3,14-4)15-5/h23H,11-22H2,1-10H3
InChIKeyUXWLGKHNQYZRDO-UHFFFAOYSA-N
XLogP6.31
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.97
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

bis(triethylsilyl) 2-[3-[ethoxy(dimethyl)silyl]propyl-methylamino]butanedioate
CID 88852131
bis(trimethylsilyl) 2-[methyl(3-triethoxysilylpropyl)amino]butanedioate
CID 88852233
bis(triethylsilyl) 2-[3-[dimethoxy(methyl)silyl]propyl-ethylamino]butanedioate
CID 88852356
triethylsilyl 3-[3-[diethoxy(methyl)silyl]propyl-ethylamino]propanoate
CID 88852037
triethylsilyl 3-[3-[diethoxy(methyl)silyl]propyl-ethylamino]-2-methylpropanoate
CID 88852273
bis(trimethylsilyl) 2-[methyl(3-trimethoxysilylpropyl)amino]butanedioate
CID 88852299
triethylsilyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-ethylamino]acetate
CID 140591360
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
bis[tri(propan-2-yl)silyl] 2-[3-[diethoxy(methyl)silyl]propylamino]butanedioate
CID 88852246
triethylsilyl 2-methyl-3-[methyl(3-triethoxysilylpropyl)amino]propanoate
CID 88852119
[tert-butyl(dimethyl)silyl] 3-[3-[diethoxy(methyl)silyl]propyl-methylamino]propanoate
CID 88852298

Frequently Asked Questions

What is the IUPAC name of bis(triethylsilyl) 2-[3-[diethoxy(methyl)silyl]propyl-methylamino]butanedioate?
The IUPAC name of bis(triethylsilyl) 2-[3-[diethoxy(methyl)silyl]propyl-methylamino]butanedioate (CID 88852114) is bis(triethylsilyl) 2-[3-[diethoxy(methyl)silyl]propyl-methylamino]butanedioate.
What is the SMILES notation for bis(triethylsilyl) 2-[3-[diethoxy(methyl)silyl]propyl-methylamino]butanedioate?
The canonical SMILES for bis(triethylsilyl) 2-[3-[diethoxy(methyl)silyl]propyl-methylamino]butanedioate is CCO[Si](C)(CCCN(C)C(CC(=O)O[Si](CC)(CC)CC)C(=O)O[Si](CC)(CC)CC)OCC.
What is the InChIKey of bis(triethylsilyl) 2-[3-[diethoxy(methyl)silyl]propyl-methylamino]butanedioate?
The InChIKey is UXWLGKHNQYZRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H55NO6Si3/c1-11-29-33(10,30-12-2)21-19-20-26(9)23(25(28)32-35(16-6,17-7)18-8)22-24(27)31-34(13-3,14-4)15-5/h23H,11-22H2,1-10H3.
What are the key properties of bis(triethylsilyl) 2-[3-[diethoxy(methyl)silyl]propyl-methylamino]butanedioate?
bis(triethylsilyl) 2-[3-[diethoxy(methyl)silyl]propyl-methylamino]butanedioate has a molecular weight of 549.97 g/mol, XLogP of 6.31, 20 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(triethylsilyl) 2-[3-[diethoxy(methyl)silyl]propyl-methylamino]butanedioate is sourced from PubChem (CID 88852114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).