tri(propan-2-yl)silyl 3-[3-[diethoxy(methyl)silyl]propylamino]-2-methylpropanoate

C21H47NO4Si2 — CID 88852346

IUPACtri(propan-2-yl)silyl 3-[3-[diethoxy(methyl)silyl]propylamino]-2-methylpropanoate
SMILESCCO[Si](C)(CCCNCC(C)C(=O)O[Si](C(C)C)(C(C)C)C(C)C)OCC
InChIInChI=1S/C21H47NO4Si2/c1-11-24-27(10,25-12-2)15-13-14-22-16-20(9)21(23)26-28(17(3)4,18(5)6)19(7)8/h17-20,22H,11-16H2,1-10H3
InChIKeyWBLCIUTUQDYOGX-UHFFFAOYSA-N
MW433.78 g/mol
LogP5.47
Rot. Bonds15

About tri(propan-2-yl)silyl 3-[3-[diethoxy(methyl)silyl]propylamino]-2-methylpropanoate

tri(propan-2-yl)silyl 3-[3-[diethoxy(methyl)silyl]propylamino]-2-methylpropanoate (PubChem CID 88852346) has the molecular formula C21H47NO4Si2 and a molecular weight of 433.78 g/mol. Its IUPAC name is tri(propan-2-yl)silyl 3-[3-[diethoxy(methyl)silyl]propylamino]-2-methylpropanoate.

Molecular Properties

Compound Nametri(propan-2-yl)silyl 3-[3-[diethoxy(methyl)silyl]propylamino]-2-methylpropanoate
PubChem CID88852346
Molecular FormulaC21H47NO4Si2
Molecular Weight433.78 g/mol
Exact Mass433.30
IUPAC Nametri(propan-2-yl)silyl 3-[3-[diethoxy(methyl)silyl]propylamino]-2-methylpropanoate
SMILESCCO[Si](C)(CCCNCC(C)C(=O)O[Si](C(C)C)(C(C)C)C(C)C)OCC
InChIInChI=1S/C21H47NO4Si2/c1-11-24-27(10,25-12-2)15-13-14-22-16-20(9)21(23)26-28(17(3)4,18(5)6)19(7)8/h17-20,22H,11-16H2,1-10H3
InChIKeyWBLCIUTUQDYOGX-UHFFFAOYSA-N
XLogP5.47
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.78
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tri(propan-2-yl)silyl 3-[3-[methoxy(dimethyl)silyl]propylamino]-2-methylpropanoate
CID 88852245
bis[tri(propan-2-yl)silyl] 2-[3-[diethoxy(methyl)silyl]propylamino]butanedioate
CID 88852246
triethylsilyl 2-methyl-3-(3-triethoxysilylpropylamino)propanoate
CID 88852142
tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propylamino]acetate
CID 140591101
tri(propan-2-yl)silyl 3-[3-[ethoxy(dimethyl)silyl]propylamino]propanoate
CID 88852274
2-methoxyethyl 3-[3-[dimethoxy(methyl)silyl]propylamino]-2-methylpropanoate
CID 59782863
methyl 3-[3-[diethoxy(methyl)silyl]propylamino]propanoate
CID 88852058
N-[3-[diethoxy(methyl)silyl]propyl]butan-1-amine
CID 22679052
methyl N-[3-[diethoxy(methyl)silyl]propyl]carbamate
CID 22065771
ethyl 3-(2-aminoethylamino)-2-methylpropanoate
CID 20551192
2-dodecoxyethyl 2-methyl-3-(3-triethoxysilylpropylamino)propanoate
CID 59782817
N-[3-[diethoxy(methyl)silyl]propyl]formamide
CID 125472982

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)silyl 3-[3-[diethoxy(methyl)silyl]propylamino]-2-methylpropanoate?
The IUPAC name of tri(propan-2-yl)silyl 3-[3-[diethoxy(methyl)silyl]propylamino]-2-methylpropanoate (CID 88852346) is tri(propan-2-yl)silyl 3-[3-[diethoxy(methyl)silyl]propylamino]-2-methylpropanoate.
What is the SMILES notation for tri(propan-2-yl)silyl 3-[3-[diethoxy(methyl)silyl]propylamino]-2-methylpropanoate?
The canonical SMILES for tri(propan-2-yl)silyl 3-[3-[diethoxy(methyl)silyl]propylamino]-2-methylpropanoate is CCO[Si](C)(CCCNCC(C)C(=O)O[Si](C(C)C)(C(C)C)C(C)C)OCC.
What is the InChIKey of tri(propan-2-yl)silyl 3-[3-[diethoxy(methyl)silyl]propylamino]-2-methylpropanoate?
The InChIKey is WBLCIUTUQDYOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H47NO4Si2/c1-11-24-27(10,25-12-2)15-13-14-22-16-20(9)21(23)26-28(17(3)4,18(5)6)19(7)8/h17-20,22H,11-16H2,1-10H3.
What are the key properties of tri(propan-2-yl)silyl 3-[3-[diethoxy(methyl)silyl]propylamino]-2-methylpropanoate?
tri(propan-2-yl)silyl 3-[3-[diethoxy(methyl)silyl]propylamino]-2-methylpropanoate has a molecular weight of 433.78 g/mol, XLogP of 5.47, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)silyl 3-[3-[diethoxy(methyl)silyl]propylamino]-2-methylpropanoate is sourced from PubChem (CID 88852346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).