[tert-butyl(dimethyl)silyl] 3-[3-[ethoxy(dimethyl)silyl]propyl-trimethylsilylamino]-2-methylpropanoate

C20H47NO3Si3 — CID 88852004

IUPAC[tert-butyl(dimethyl)silyl] 3-[3-[ethoxy(dimethyl)silyl]propyl-trimethylsilylamino]-2-methylpropanoate
SMILESCCO[Si](C)(C)CCCN(CC(C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C20H47NO3Si3/c1-13-23-26(9,10)16-14-15-21(25(6,7)8)17-18(2)19(22)24-27(11,12)20(3,4)5/h18H,13-17H2,1-12H3
InChIKeyVURNMLKQWHDVKL-UHFFFAOYSA-N
MW433.86 g/mol
LogP5.94
Rot. Bonds11

About [tert-butyl(dimethyl)silyl] 3-[3-[ethoxy(dimethyl)silyl]propyl-trimethylsilylamino]-2-methylpropanoate

[tert-butyl(dimethyl)silyl] 3-[3-[ethoxy(dimethyl)silyl]propyl-trimethylsilylamino]-2-methylpropanoate (PubChem CID 88852004) has the molecular formula C20H47NO3Si3 and a molecular weight of 433.86 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 3-[3-[ethoxy(dimethyl)silyl]propyl-trimethylsilylamino]-2-methylpropanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 3-[3-[ethoxy(dimethyl)silyl]propyl-trimethylsilylamino]-2-methylpropanoate
PubChem CID88852004
Molecular FormulaC20H47NO3Si3
Molecular Weight433.86 g/mol
Exact Mass433.29
IUPAC Name[tert-butyl(dimethyl)silyl] 3-[3-[ethoxy(dimethyl)silyl]propyl-trimethylsilylamino]-2-methylpropanoate
SMILESCCO[Si](C)(C)CCCN(CC(C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C20H47NO3Si3/c1-13-23-26(9,10)16-14-15-21(25(6,7)8)17-18(2)19(22)24-27(11,12)20(3,4)5/h18H,13-17H2,1-12H3
InChIKeyVURNMLKQWHDVKL-UHFFFAOYSA-N
XLogP5.94
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.86
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [tert-butyl(dimethyl)silyl] 3-[3-[ethoxy(dimethyl)silyl]propyl-trimethylsilylamino]-2-methylpropanoate with MolForge

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Related Compounds

trimethylsilyl 3-[3-[ethoxy(dimethyl)silyl]propyl-trimethylsilylamino]-2-methylpropanoate
CID 88852108
[tert-butyl(dimethyl)silyl] 3-[3-[ethoxy(dimethyl)silyl]propyl-methylamino]propanoate
CID 88852155
triethylsilyl 3-[3-[diethoxy(methyl)silyl]propyl-ethylamino]-2-methylpropanoate
CID 88852273
trimethylsilyl 3-[3-[methoxy(dimethyl)silyl]propyl-methylamino]-2-methylpropanoate
CID 88852006
[tert-butyl(dimethyl)silyl] 3-[3-[diethoxy(methyl)silyl]propyl-ethylamino]propanoate
CID 88852109
[tert-butyl(dimethyl)silyl] 3-[ethyl-[3-[methoxy(dimethyl)silyl]propyl]amino]propanoate
CID 88852191
[tert-butyl(dimethyl)silyl] 3-[3-[diethoxy(methyl)silyl]propyl-methylamino]propanoate
CID 88852298
triethylsilyl 2-methyl-3-[methyl(3-triethoxysilylpropyl)amino]propanoate
CID 88852119
[tert-butyl(dimethyl)silyl] 2-(ethoxycarbonylamino)propanoate
CID 91752616
3-[ethoxy(dimethyl)silyl]propyl (2S)-2-bromopropanoate
CID 124675355
3-[ethoxy(dimethyl)silyl]-N,N-dipropylpropan-1-amine
CID 87204397
bis(triethylsilyl) 2-[3-[ethoxy(dimethyl)silyl]propyl-methylamino]butanedioate
CID 88852131

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 3-[3-[ethoxy(dimethyl)silyl]propyl-trimethylsilylamino]-2-methylpropanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 3-[3-[ethoxy(dimethyl)silyl]propyl-trimethylsilylamino]-2-methylpropanoate (CID 88852004) is [tert-butyl(dimethyl)silyl] 3-[3-[ethoxy(dimethyl)silyl]propyl-trimethylsilylamino]-2-methylpropanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 3-[3-[ethoxy(dimethyl)silyl]propyl-trimethylsilylamino]-2-methylpropanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 3-[3-[ethoxy(dimethyl)silyl]propyl-trimethylsilylamino]-2-methylpropanoate is CCO[Si](C)(C)CCCN(CC(C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 3-[3-[ethoxy(dimethyl)silyl]propyl-trimethylsilylamino]-2-methylpropanoate?
The InChIKey is VURNMLKQWHDVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H47NO3Si3/c1-13-23-26(9,10)16-14-15-21(25(6,7)8)17-18(2)19(22)24-27(11,12)20(3,4)5/h18H,13-17H2,1-12H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 3-[3-[ethoxy(dimethyl)silyl]propyl-trimethylsilylamino]-2-methylpropanoate?
[tert-butyl(dimethyl)silyl] 3-[3-[ethoxy(dimethyl)silyl]propyl-trimethylsilylamino]-2-methylpropanoate has a molecular weight of 433.86 g/mol, XLogP of 5.94, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 3-[3-[ethoxy(dimethyl)silyl]propyl-trimethylsilylamino]-2-methylpropanoate is sourced from PubChem (CID 88852004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).