[6-[2-[[2,2-diethoxy-4-(triethoxysilylmethyl)-1,4,2-oxazasilinan-6-yl]methoxy]ethoxymethyl]-2,2-diethoxy-1,4,2-oxazasilinan-4-yl]methyl-triethoxysilane

C32H72N2O14Si4 — CID 177302447

IUPAC[6-[2-[[2,2-diethoxy-4-(triethoxysilylmethyl)-1,4,2-oxazasilinan-6-yl]methoxy]ethoxymethyl]-2,2-diethoxy-1,4,2-oxazasilinan-4-yl]methyl-triethoxysilane
SMILESCCO[Si](CN1CC(COCCOCC2CN(C[Si](OCC)(OCC)OCC)C[Si](OCC)(OCC)O2)O[Si](OCC)(OCC)C1)(OCC)OCC
InChIInChI=1S/C32H72N2O14Si4/c1-11-37-49(38-12-2,39-13-3)27-33-23-31(47-51(29-33,43-17-7)44-18-8)25-35-21-22-36-26-32-24-34(30-52(48-32,45-19-9)46-20-10)28-50(40-14-4,41-15-5)42-16-6/h31-32H,11-30H2,1-10H3
InChIKeyGIPMHEHSJMGFQB-UHFFFAOYSA-N
MW821.27 g/mol
LogP2.70
Rot. Bonds31

About [6-[2-[[2,2-diethoxy-4-(triethoxysilylmethyl)-1,4,2-oxazasilinan-6-yl]methoxy]ethoxymethyl]-2,2-diethoxy-1,4,2-oxazasilinan-4-yl]methyl-triethoxysilane

[6-[2-[[2,2-diethoxy-4-(triethoxysilylmethyl)-1,4,2-oxazasilinan-6-yl]methoxy]ethoxymethyl]-2,2-diethoxy-1,4,2-oxazasilinan-4-yl]methyl-triethoxysilane (PubChem CID 177302447) has the molecular formula C32H72N2O14Si4 and a molecular weight of 821.27 g/mol. Its IUPAC name is [6-[2-[[2,2-diethoxy-4-(triethoxysilylmethyl)-1,4,2-oxazasilinan-6-yl]methoxy]ethoxymethyl]-2,2-diethoxy-1,4,2-oxazasilinan-4-yl]methyl-triethoxysilane.

Molecular Properties

Compound Name[6-[2-[[2,2-diethoxy-4-(triethoxysilylmethyl)-1,4,2-oxazasilinan-6-yl]methoxy]ethoxymethyl]-2,2-diethoxy-1,4,2-oxazasilinan-4-yl]methyl-triethoxysilane
PubChem CID177302447
Molecular FormulaC32H72N2O14Si4
Molecular Weight821.27 g/mol
Exact Mass820.41
IUPAC Name[6-[2-[[2,2-diethoxy-4-(triethoxysilylmethyl)-1,4,2-oxazasilinan-6-yl]methoxy]ethoxymethyl]-2,2-diethoxy-1,4,2-oxazasilinan-4-yl]methyl-triethoxysilane
SMILESCCO[Si](CN1CC(COCCOCC2CN(C[Si](OCC)(OCC)OCC)C[Si](OCC)(OCC)O2)O[Si](OCC)(OCC)C1)(OCC)OCC
InChIInChI=1S/C32H72N2O14Si4/c1-11-37-49(38-12-2,39-13-3)27-33-23-31(47-51(29-33,43-17-7)44-18-8)25-35-21-22-36-26-32-24-34(30-52(48-32,45-19-9)46-20-10)28-50(40-14-4,41-15-5)42-16-6/h31-32H,11-30H2,1-10H3
InChIKeyGIPMHEHSJMGFQB-UHFFFAOYSA-N
XLogP2.70
TPSA135.70 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds31
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.27
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze [6-[2-[[2,2-diethoxy-4-(triethoxysilylmethyl)-1,4,2-oxazasilinan-6-yl]methoxy]ethoxymethyl]-2,2-diethoxy-1,4,2-oxazasilinan-4-yl]methyl-triethoxysilane 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

triethoxy-[3-[(1-ethoxy-7,10-dimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-3-yl)methoxy]propyl]silane
CID 59936782
triethoxy-[3-[3-[3-(oxiran-2-ylmethoxy)propyl]imidazolidin-1-yl]propyl]silane
CID 140960756
2-[ethoxy-(2-hydroxyethoxy)-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxyethanol
CID 87723371
triethoxy(oxiran-2-ylmethoxymethyl)silane;trimethoxy(oxiran-2-ylmethoxymethyl)silane
CID 87862133
propane-1,2,3-triol;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174916618
triethoxy-[3-(oxetan-3-ylmethoxy)propyl]silane
CID 11346874
[diethoxy(morpholin-4-ylmethyl)silyl]oxy-[[diethoxy(morpholin-4-ylmethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilane
CID 140836266
propane-1-thiol;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174889951
2,2-diethoxyoxasilirane
CID 140622651
CID 177302475
CID 177302475
CID 177302469
CID 177302469
diethoxy-methyl-[1-(oxiran-2-ylmethoxy)propyl]silane;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 87666631

Frequently Asked Questions

What is the IUPAC name of [6-[2-[[2,2-diethoxy-4-(triethoxysilylmethyl)-1,4,2-oxazasilinan-6-yl]methoxy]ethoxymethyl]-2,2-diethoxy-1,4,2-oxazasilinan-4-yl]methyl-triethoxysilane?
The IUPAC name of [6-[2-[[2,2-diethoxy-4-(triethoxysilylmethyl)-1,4,2-oxazasilinan-6-yl]methoxy]ethoxymethyl]-2,2-diethoxy-1,4,2-oxazasilinan-4-yl]methyl-triethoxysilane (CID 177302447) is [6-[2-[[2,2-diethoxy-4-(triethoxysilylmethyl)-1,4,2-oxazasilinan-6-yl]methoxy]ethoxymethyl]-2,2-diethoxy-1,4,2-oxazasilinan-4-yl]methyl-triethoxysilane.
What is the SMILES notation for [6-[2-[[2,2-diethoxy-4-(triethoxysilylmethyl)-1,4,2-oxazasilinan-6-yl]methoxy]ethoxymethyl]-2,2-diethoxy-1,4,2-oxazasilinan-4-yl]methyl-triethoxysilane?
The canonical SMILES for [6-[2-[[2,2-diethoxy-4-(triethoxysilylmethyl)-1,4,2-oxazasilinan-6-yl]methoxy]ethoxymethyl]-2,2-diethoxy-1,4,2-oxazasilinan-4-yl]methyl-triethoxysilane is CCO[Si](CN1CC(COCCOCC2CN(C[Si](OCC)(OCC)OCC)C[Si](OCC)(OCC)O2)O[Si](OCC)(OCC)C1)(OCC)OCC.
What is the InChIKey of [6-[2-[[2,2-diethoxy-4-(triethoxysilylmethyl)-1,4,2-oxazasilinan-6-yl]methoxy]ethoxymethyl]-2,2-diethoxy-1,4,2-oxazasilinan-4-yl]methyl-triethoxysilane?
The InChIKey is GIPMHEHSJMGFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H72N2O14Si4/c1-11-37-49(38-12-2,39-13-3)27-33-23-31(47-51(29-33,43-17-7)44-18-8)25-35-21-22-36-26-32-24-34(30-52(48-32,45-19-9)46-20-10)28-50(40-14-4,41-15-5)42-16-6/h31-32H,11-30H2,1-10H3.
What are the key properties of [6-[2-[[2,2-diethoxy-4-(triethoxysilylmethyl)-1,4,2-oxazasilinan-6-yl]methoxy]ethoxymethyl]-2,2-diethoxy-1,4,2-oxazasilinan-4-yl]methyl-triethoxysilane?
[6-[2-[[2,2-diethoxy-4-(triethoxysilylmethyl)-1,4,2-oxazasilinan-6-yl]methoxy]ethoxymethyl]-2,2-diethoxy-1,4,2-oxazasilinan-4-yl]methyl-triethoxysilane has a molecular weight of 821.27 g/mol, XLogP of 2.70, 31 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-[[2,2-diethoxy-4-(triethoxysilylmethyl)-1,4,2-oxazasilinan-6-yl]methoxy]ethoxymethyl]-2,2-diethoxy-1,4,2-oxazasilinan-4-yl]methyl-triethoxysilane is sourced from PubChem (CID 177302447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).