bis[2-(3-triethoxysilylpropylamino)ethyl] butanedioate

C26H56N2O10Si2 — CID 174636831

IUPACbis[2-(3-triethoxysilylpropylamino)ethyl] butanedioate
SMILESCCO[Si](CCCNCCOC(=O)CCC(=O)OCCNCCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C26H56N2O10Si2/c1-7-33-39(34-8-2,35-9-3)23-13-17-27-19-21-31-25(29)15-16-26(30)32-22-20-28-18-14-24-40(36-10-4,37-11-5)38-12-6/h27-28H,7-24H2,1-6H3
InChIKeyAXSMSCZMYZNYHN-UHFFFAOYSA-N
MW612.91 g/mol
LogP2.91
Rot. Bonds29

About bis[2-(3-triethoxysilylpropylamino)ethyl] butanedioate

bis[2-(3-triethoxysilylpropylamino)ethyl] butanedioate (PubChem CID 174636831) has the molecular formula C26H56N2O10Si2 and a molecular weight of 612.91 g/mol. Its IUPAC name is bis[2-(3-triethoxysilylpropylamino)ethyl] butanedioate.

Molecular Properties

Compound Namebis[2-(3-triethoxysilylpropylamino)ethyl] butanedioate
PubChem CID174636831
Molecular FormulaC26H56N2O10Si2
Molecular Weight612.91 g/mol
Exact Mass612.35
IUPAC Namebis[2-(3-triethoxysilylpropylamino)ethyl] butanedioate
SMILESCCO[Si](CCCNCCOC(=O)CCC(=O)OCCNCCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C26H56N2O10Si2/c1-7-33-39(34-8-2,35-9-3)23-13-17-27-19-21-31-25(29)15-16-26(30)32-22-20-28-18-14-24-40(36-10-4,37-11-5)38-12-6/h27-28H,7-24H2,1-6H3
InChIKeyAXSMSCZMYZNYHN-UHFFFAOYSA-N
XLogP2.91
TPSA132.04 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds29
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.91
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze bis[2-(3-triethoxysilylpropylamino)ethyl] butanedioate 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 3-(3-triethoxysilylpropylamino)propanoate
CID 22345864
N-[3-[[diethoxy-[3-(3-triethoxysilylpropylamino)propyl]silyl]oxy-diethoxysilyl]propyl]-3-triethoxysilylpropan-1-amine
CID 171623585
N'-(3-triethoxysilylpropyl)ethane-1,2-diamine;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 87775603
silane;3-triethoxysilylpropylurea
CID 161180470
2-amino-N-(3-triethoxysilylpropyl)acetamide
CID 59561209
4-triethoxysilylbutyl propanoate
CID 141347796
1-N'-[2-(3-triethoxysilylpropylamino)ethyl]ethene-1,1-diamine
CID 168864834
[3-oxo-3-(3-triethoxysilylpropylamino)propyl] N-(3-triethoxysilylpropyl)carbamate
CID 123219063
N'-(11-triethoxysilylundecyl)ethane-1,2-diamine
CID 87195550
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl 4-oxo-4-(3-triethoxysilylpropylamino)butanoate
CID 122389672
N-(3-triethoxysilylpropyl)butanamide
CID 20829613
N-ethyl-3-triethoxysilylpropan-1-amine;silane
CID 161213931

Frequently Asked Questions

What is the IUPAC name of bis[2-(3-triethoxysilylpropylamino)ethyl] butanedioate?
The IUPAC name of bis[2-(3-triethoxysilylpropylamino)ethyl] butanedioate (CID 174636831) is bis[2-(3-triethoxysilylpropylamino)ethyl] butanedioate.
What is the SMILES notation for bis[2-(3-triethoxysilylpropylamino)ethyl] butanedioate?
The canonical SMILES for bis[2-(3-triethoxysilylpropylamino)ethyl] butanedioate is CCO[Si](CCCNCCOC(=O)CCC(=O)OCCNCCC[Si](OCC)(OCC)OCC)(OCC)OCC.
What is the InChIKey of bis[2-(3-triethoxysilylpropylamino)ethyl] butanedioate?
The InChIKey is AXSMSCZMYZNYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H56N2O10Si2/c1-7-33-39(34-8-2,35-9-3)23-13-17-27-19-21-31-25(29)15-16-26(30)32-22-20-28-18-14-24-40(36-10-4,37-11-5)38-12-6/h27-28H,7-24H2,1-6H3.
What are the key properties of bis[2-(3-triethoxysilylpropylamino)ethyl] butanedioate?
bis[2-(3-triethoxysilylpropylamino)ethyl] butanedioate has a molecular weight of 612.91 g/mol, XLogP of 2.91, 29 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(3-triethoxysilylpropylamino)ethyl] butanedioate is sourced from PubChem (CID 174636831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).