4-triethoxysilyl-N-[4-(4-triethoxysilylbutylideneamino)phenyl]butan-1-imine

C26H48N2O6Si2 — CID 162517855

IUPAC4-triethoxysilyl-N-[4-(4-triethoxysilylbutylideneamino)phenyl]butan-1-imine
SMILESCCO[Si](CCC/C=N/c1ccc(/N=C/CCC[Si](OCC)(OCC)OCC)cc1)(OCC)OCC
InChIInChI=1S/C26H48N2O6Si2/c1-7-29-35(30-8-2,31-9-3)23-15-13-21-27-25-17-19-26(20-18-25)28-22-14-16-24-36(32-10-4,33-11-5)34-12-6/h17-22H,7-16,23-24H2,1-6H3/b27-21+,28-22+
InChIKeyGBEQBGKFJDBOJS-GPAWKIAZSA-N
MW540.85 g/mol
LogP6.75
Rot. Bonds22

About 4-triethoxysilyl-N-[4-(4-triethoxysilylbutylideneamino)phenyl]butan-1-imine

4-triethoxysilyl-N-[4-(4-triethoxysilylbutylideneamino)phenyl]butan-1-imine (PubChem CID 162517855) has the molecular formula C26H48N2O6Si2 and a molecular weight of 540.85 g/mol. Its IUPAC name is 4-triethoxysilyl-N-[4-(4-triethoxysilylbutylideneamino)phenyl]butan-1-imine.

Molecular Properties

Compound Name4-triethoxysilyl-N-[4-(4-triethoxysilylbutylideneamino)phenyl]butan-1-imine
PubChem CID162517855
Molecular FormulaC26H48N2O6Si2
Molecular Weight540.85 g/mol
Exact Mass540.31
IUPAC Name4-triethoxysilyl-N-[4-(4-triethoxysilylbutylideneamino)phenyl]butan-1-imine
SMILESCCO[Si](CCC/C=N/c1ccc(/N=C/CCC[Si](OCC)(OCC)OCC)cc1)(OCC)OCC
InChIInChI=1S/C26H48N2O6Si2/c1-7-29-35(30-8-2,31-9-3)23-15-13-21-27-25-17-19-26(20-18-25)28-22-14-16-24-36(32-10-4,33-11-5)34-12-6/h17-22H,7-16,23-24H2,1-6H3/b27-21+,28-22+
InChIKeyGBEQBGKFJDBOJS-GPAWKIAZSA-N
XLogP6.75
TPSA80.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.85
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-triethoxysilyl-N-[4-(4-triethoxysilylbutylideneamino)phenyl]butan-1-imine 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

N-(3-triethoxysilylpropyl)-1-[4-(3-triethoxysilylpropyliminomethyl)phenyl]methanimine
CID 22247245
1-pyridin-2-yl-N-[4-(3-triethoxysilylpropoxy)phenyl]methanimine
CID 102598751
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
triethoxy-[3-[4-[1-(3-triethoxysilylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]silane
CID 102388742
N-(4-chlorophenyl)hexan-1-imine
CID 91100522
N-(4-methylphenyl)nonan-1-imine
CID 10998858
triethoxy-[3-(3-triethoxysilylpropoxy)propyl]silane
CID 22616805
4-[[4-(3-triethoxysilylpropoxy)phenyl]diazenyl]phenol
CID 137240522
triethoxy-[3-[2-(3-triethoxysilylpropoxy)ethoxy]propyl]silane
CID 90147860
1-(4-ethenylphenyl)-N-(3-triethoxysilylpropyl)methanimine
CID 71347976
triethoxy(18,18,18-tribromooctadecyl)silane
CID 140708887
1-(4-methoxyphenyl)-N-(3-triethoxysilylpropyl)methanimine
CID 67729195

Frequently Asked Questions

What is the IUPAC name of 4-triethoxysilyl-N-[4-(4-triethoxysilylbutylideneamino)phenyl]butan-1-imine?
The IUPAC name of 4-triethoxysilyl-N-[4-(4-triethoxysilylbutylideneamino)phenyl]butan-1-imine (CID 162517855) is 4-triethoxysilyl-N-[4-(4-triethoxysilylbutylideneamino)phenyl]butan-1-imine.
What is the SMILES notation for 4-triethoxysilyl-N-[4-(4-triethoxysilylbutylideneamino)phenyl]butan-1-imine?
The canonical SMILES for 4-triethoxysilyl-N-[4-(4-triethoxysilylbutylideneamino)phenyl]butan-1-imine is CCO[Si](CCC/C=N/c1ccc(/N=C/CCC[Si](OCC)(OCC)OCC)cc1)(OCC)OCC.
What is the InChIKey of 4-triethoxysilyl-N-[4-(4-triethoxysilylbutylideneamino)phenyl]butan-1-imine?
The InChIKey is GBEQBGKFJDBOJS-GPAWKIAZSA-N. The full InChI is InChI=1S/C26H48N2O6Si2/c1-7-29-35(30-8-2,31-9-3)23-15-13-21-27-25-17-19-26(20-18-25)28-22-14-16-24-36(32-10-4,33-11-5)34-12-6/h17-22H,7-16,23-24H2,1-6H3/b27-21+,28-22+.
What are the key properties of 4-triethoxysilyl-N-[4-(4-triethoxysilylbutylideneamino)phenyl]butan-1-imine?
4-triethoxysilyl-N-[4-(4-triethoxysilylbutylideneamino)phenyl]butan-1-imine has a molecular weight of 540.85 g/mol, XLogP of 6.75, 22 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-triethoxysilyl-N-[4-(4-triethoxysilylbutylideneamino)phenyl]butan-1-imine is sourced from PubChem (CID 162517855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).