triethylsilyl 3-[ethyl(3-trimethoxysilylpropyl)amino]propanoate

C17H39NO5Si2 — CID 88852370

IUPACtriethylsilyl 3-[ethyl(3-trimethoxysilylpropyl)amino]propanoate
SMILESCCN(CCC[Si](OC)(OC)OC)CCC(=O)O[Si](CC)(CC)CC
InChIInChI=1S/C17H39NO5Si2/c1-8-18(14-12-16-25(20-5,21-6)22-7)15-13-17(19)23-24(9-2,10-3)11-4/h8-16H2,1-7H3
InChIKeyJNLXMSSIPICXFY-UHFFFAOYSA-N
MW393.67 g/mol
LogP3.52
Rot. Bonds15

About triethylsilyl 3-[ethyl(3-trimethoxysilylpropyl)amino]propanoate

triethylsilyl 3-[ethyl(3-trimethoxysilylpropyl)amino]propanoate (PubChem CID 88852370) has the molecular formula C17H39NO5Si2 and a molecular weight of 393.67 g/mol. Its IUPAC name is triethylsilyl 3-[ethyl(3-trimethoxysilylpropyl)amino]propanoate.

Molecular Properties

Compound Nametriethylsilyl 3-[ethyl(3-trimethoxysilylpropyl)amino]propanoate
PubChem CID88852370
Molecular FormulaC17H39NO5Si2
Molecular Weight393.67 g/mol
Exact Mass393.24
IUPAC Nametriethylsilyl 3-[ethyl(3-trimethoxysilylpropyl)amino]propanoate
SMILESCCN(CCC[Si](OC)(OC)OC)CCC(=O)O[Si](CC)(CC)CC
InChIInChI=1S/C17H39NO5Si2/c1-8-18(14-12-16-25(20-5,21-6)22-7)15-13-17(19)23-24(9-2,10-3)11-4/h8-16H2,1-7H3
InChIKeyJNLXMSSIPICXFY-UHFFFAOYSA-N
XLogP3.52
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.67
LogP ≤ 53.52
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

[tert-butyl(dimethyl)silyl] 3-[ethyl(3-trimethoxysilylpropyl)amino]propanoate
CID 88852033
triethylsilyl 3-[3-[diethoxy(methyl)silyl]propyl-ethylamino]propanoate
CID 88852037
ethyl 3-[(3-ethoxy-3-oxopropyl)-(3-trimethoxysilylpropyl)amino]propanoate
CID 170745110
[tert-butyl(dimethyl)silyl] 3-[ethyl-[3-[methoxy(dimethyl)silyl]propyl]amino]propanoate
CID 88852191
N'-[3-(diethylamino)propyl]-N,N-diethyl-N'-(3-trimethoxysilylpropyl)propane-1,3-diamine
CID 140647739
3-[propyl(3-trimethoxysilylpropyl)amino]propanoic acid
CID 151472451
triethylsilyl 4-bromobutanoate
CID 10945872
3-[heptyl(3-trimethoxysilylpropyl)amino]propanoic acid
CID 150680640
3-[hexyl(3-trimethoxysilylpropyl)amino]propanoic acid
CID 150372013
trimethylsilyl 3-[3-trimethoxysilylpropyl(trimethylsilyl)amino]propanoate
CID 88852136
[tert-butyl(dimethyl)silyl] 3-[3-[diethoxy(methyl)silyl]propyl-ethylamino]propanoate
CID 88852109
N'-[3-[diethyl(methoxy)silyl]propyl]-N-ethyl-N'-[3-[ethyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine
CID 140647738

Frequently Asked Questions

What is the IUPAC name of triethylsilyl 3-[ethyl(3-trimethoxysilylpropyl)amino]propanoate?
The IUPAC name of triethylsilyl 3-[ethyl(3-trimethoxysilylpropyl)amino]propanoate (CID 88852370) is triethylsilyl 3-[ethyl(3-trimethoxysilylpropyl)amino]propanoate.
What is the SMILES notation for triethylsilyl 3-[ethyl(3-trimethoxysilylpropyl)amino]propanoate?
The canonical SMILES for triethylsilyl 3-[ethyl(3-trimethoxysilylpropyl)amino]propanoate is CCN(CCC[Si](OC)(OC)OC)CCC(=O)O[Si](CC)(CC)CC.
What is the InChIKey of triethylsilyl 3-[ethyl(3-trimethoxysilylpropyl)amino]propanoate?
The InChIKey is JNLXMSSIPICXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H39NO5Si2/c1-8-18(14-12-16-25(20-5,21-6)22-7)15-13-17(19)23-24(9-2,10-3)11-4/h8-16H2,1-7H3.
What are the key properties of triethylsilyl 3-[ethyl(3-trimethoxysilylpropyl)amino]propanoate?
triethylsilyl 3-[ethyl(3-trimethoxysilylpropyl)amino]propanoate has a molecular weight of 393.67 g/mol, XLogP of 3.52, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for triethylsilyl 3-[ethyl(3-trimethoxysilylpropyl)amino]propanoate is sourced from PubChem (CID 88852370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).