triethylsilyl 2-methyl-3-(3-triethoxysilylpropylamino)propanoate

C19H43NO5Si2 — CID 88852142

IUPACtriethylsilyl 2-methyl-3-(3-triethoxysilylpropylamino)propanoate
SMILESCCO[Si](CCCNCC(C)C(=O)O[Si](CC)(CC)CC)(OCC)OCC
InChIInChI=1S/C19H43NO5Si2/c1-8-22-27(23-9-2,24-10-3)16-14-15-20-17-18(7)19(21)25-26(11-4,12-5)13-6/h18,20H,8-17H2,1-7H3
InChIKeyNBZBKHUITHZUGM-UHFFFAOYSA-N
MW421.73 g/mol
LogP4.20
Rot. Bonds17

About triethylsilyl 2-methyl-3-(3-triethoxysilylpropylamino)propanoate

triethylsilyl 2-methyl-3-(3-triethoxysilylpropylamino)propanoate (PubChem CID 88852142) has the molecular formula C19H43NO5Si2 and a molecular weight of 421.73 g/mol. Its IUPAC name is triethylsilyl 2-methyl-3-(3-triethoxysilylpropylamino)propanoate.

Molecular Properties

Compound Nametriethylsilyl 2-methyl-3-(3-triethoxysilylpropylamino)propanoate
PubChem CID88852142
Molecular FormulaC19H43NO5Si2
Molecular Weight421.73 g/mol
Exact Mass421.27
IUPAC Nametriethylsilyl 2-methyl-3-(3-triethoxysilylpropylamino)propanoate
SMILESCCO[Si](CCCNCC(C)C(=O)O[Si](CC)(CC)CC)(OCC)OCC
InChIInChI=1S/C19H43NO5Si2/c1-8-22-27(23-9-2,24-10-3)16-14-15-20-17-18(7)19(21)25-26(11-4,12-5)13-6/h18,20H,8-17H2,1-7H3
InChIKeyNBZBKHUITHZUGM-UHFFFAOYSA-N
XLogP4.20
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.73
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-dodecoxyethyl 2-methyl-3-(3-triethoxysilylpropylamino)propanoate
CID 59782817
triethylsilyl 2-methyl-3-[methyl(3-triethoxysilylpropyl)amino]propanoate
CID 88852119
tri(propan-2-yl)silyl 3-[3-[diethoxy(methyl)silyl]propylamino]-2-methylpropanoate
CID 88852346
silane;3-triethoxysilylpropylurea
CID 161180470
ethyl 3-(2-aminoethylamino)-2-methylpropanoate
CID 20551192
N'-(3-triethoxysilylpropyl)ethane-1,2-diamine;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 87775603
3-triethoxysilylpropan-1-amine;3-triethoxysilylpropylurea
CID 88634615
bis[2-(3-triethoxysilylpropylamino)ethyl] butanedioate
CID 174636831
2-[2-(2-propoxyethoxy)ethoxy]ethyl 2-methyl-3-(3-trimethoxysilylpropylamino)propanoate
CID 58122243
2-amino-N-(3-triethoxysilylpropyl)acetamide
CID 59561209
1-N'-[2-(3-triethoxysilylpropylamino)ethyl]ethene-1,1-diamine
CID 168864834
propan-2-yl N-(3-triethoxysilylpropyl)carbamate
CID 87069299

Frequently Asked Questions

What is the IUPAC name of triethylsilyl 2-methyl-3-(3-triethoxysilylpropylamino)propanoate?
The IUPAC name of triethylsilyl 2-methyl-3-(3-triethoxysilylpropylamino)propanoate (CID 88852142) is triethylsilyl 2-methyl-3-(3-triethoxysilylpropylamino)propanoate.
What is the SMILES notation for triethylsilyl 2-methyl-3-(3-triethoxysilylpropylamino)propanoate?
The canonical SMILES for triethylsilyl 2-methyl-3-(3-triethoxysilylpropylamino)propanoate is CCO[Si](CCCNCC(C)C(=O)O[Si](CC)(CC)CC)(OCC)OCC.
What is the InChIKey of triethylsilyl 2-methyl-3-(3-triethoxysilylpropylamino)propanoate?
The InChIKey is NBZBKHUITHZUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H43NO5Si2/c1-8-22-27(23-9-2,24-10-3)16-14-15-20-17-18(7)19(21)25-26(11-4,12-5)13-6/h18,20H,8-17H2,1-7H3.
What are the key properties of triethylsilyl 2-methyl-3-(3-triethoxysilylpropylamino)propanoate?
triethylsilyl 2-methyl-3-(3-triethoxysilylpropylamino)propanoate has a molecular weight of 421.73 g/mol, XLogP of 4.20, 17 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for triethylsilyl 2-methyl-3-(3-triethoxysilylpropylamino)propanoate is sourced from PubChem (CID 88852142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).