[tert-butyl(dimethyl)silyl] 3-[ethyl(3-trimethoxysilylpropyl)amino]propanoate

C17H39NO5Si2 — CID 88852033

IUPAC[tert-butyl(dimethyl)silyl] 3-[ethyl(3-trimethoxysilylpropyl)amino]propanoate
SMILESCCN(CCC[Si](OC)(OC)OC)CCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H39NO5Si2/c1-10-18(13-11-15-25(20-5,21-6)22-7)14-12-16(19)23-24(8,9)17(2,3)4/h10-15H2,1-9H3
InChIKeyFXPXKFKPPSTFLW-UHFFFAOYSA-N
MW393.67 g/mol
LogP3.52
Rot. Bonds12

About [tert-butyl(dimethyl)silyl] 3-[ethyl(3-trimethoxysilylpropyl)amino]propanoate

[tert-butyl(dimethyl)silyl] 3-[ethyl(3-trimethoxysilylpropyl)amino]propanoate (PubChem CID 88852033) has the molecular formula C17H39NO5Si2 and a molecular weight of 393.67 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 3-[ethyl(3-trimethoxysilylpropyl)amino]propanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 3-[ethyl(3-trimethoxysilylpropyl)amino]propanoate
PubChem CID88852033
Molecular FormulaC17H39NO5Si2
Molecular Weight393.67 g/mol
Exact Mass393.24
IUPAC Name[tert-butyl(dimethyl)silyl] 3-[ethyl(3-trimethoxysilylpropyl)amino]propanoate
SMILESCCN(CCC[Si](OC)(OC)OC)CCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H39NO5Si2/c1-10-18(13-11-15-25(20-5,21-6)22-7)14-12-16(19)23-24(8,9)17(2,3)4/h10-15H2,1-9H3
InChIKeyFXPXKFKPPSTFLW-UHFFFAOYSA-N
XLogP3.52
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
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'}

Analyze [tert-butyl(dimethyl)silyl] 3-[ethyl(3-trimethoxysilylpropyl)amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[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-ethylamino]propanoate
CID 88852109
triethylsilyl 3-[ethyl(3-trimethoxysilylpropyl)amino]propanoate
CID 88852370
[tert-butyl(dimethyl)silyl] 3-[3-[ethoxy(dimethyl)silyl]propyl-methylamino]propanoate
CID 88852155
ethyl 3-[(3-ethoxy-3-oxopropyl)-(3-trimethoxysilylpropyl)amino]propanoate
CID 170745110
[tert-butyl(dimethyl)silyl] 3-[3-[diethoxy(methyl)silyl]propyl-methylamino]propanoate
CID 88852298
bis[tert-butyl(dimethyl)silyl] hexanedioate
CID 528567
triethylsilyl 3-[3-[diethoxy(methyl)silyl]propyl-ethylamino]propanoate
CID 88852037
4-O-[tert-butyl(dimethyl)silyl] 1-O-methyl butanedioate
CID 87697847
trimethylsilyl 3-[3-trimethoxysilylpropyl(trimethylsilyl)amino]propanoate
CID 88852136
N'-[3-(diethylamino)propyl]-N,N-diethyl-N'-(3-trimethoxysilylpropyl)propane-1,3-diamine
CID 140647739
[tert-butyl(dimethyl)silyl] heptacosanoate
CID 91752633

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 3-[ethyl(3-trimethoxysilylpropyl)amino]propanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 3-[ethyl(3-trimethoxysilylpropyl)amino]propanoate (CID 88852033) is [tert-butyl(dimethyl)silyl] 3-[ethyl(3-trimethoxysilylpropyl)amino]propanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 3-[ethyl(3-trimethoxysilylpropyl)amino]propanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 3-[ethyl(3-trimethoxysilylpropyl)amino]propanoate is CCN(CCC[Si](OC)(OC)OC)CCC(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 3-[ethyl(3-trimethoxysilylpropyl)amino]propanoate?
The InChIKey is FXPXKFKPPSTFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H39NO5Si2/c1-10-18(13-11-15-25(20-5,21-6)22-7)14-12-16(19)23-24(8,9)17(2,3)4/h10-15H2,1-9H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 3-[ethyl(3-trimethoxysilylpropyl)amino]propanoate?
[tert-butyl(dimethyl)silyl] 3-[ethyl(3-trimethoxysilylpropyl)amino]propanoate has a molecular weight of 393.67 g/mol, XLogP of 3.52, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 3-[ethyl(3-trimethoxysilylpropyl)amino]propanoate is sourced from PubChem (CID 88852033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).