[3,5-bis(triethoxysilylmethyl)-1,3,5-triazinan-1-yl]methyl-triethoxysilane

C24H57N3O9Si3 — CID 67387813

IUPAC[3,5-bis(triethoxysilylmethyl)-1,3,5-triazinan-1-yl]methyl-triethoxysilane
SMILESCCO[Si](CN1CN(C[Si](OCC)(OCC)OCC)CN(C[Si](OCC)(OCC)OCC)C1)(OCC)OCC
InChIInChI=1S/C24H57N3O9Si3/c1-10-28-37(29-11-2,30-12-3)22-25-19-26(23-38(31-13-4,32-14-5)33-15-6)21-27(20-25)24-39(34-16-7,35-17-8)36-18-9/h10-24H2,1-9H3
InChIKeyJMBKXAGJJUIUMG-UHFFFAOYSA-N
MW615.99 g/mol
LogP2.54
Rot. Bonds24

About [3,5-bis(triethoxysilylmethyl)-1,3,5-triazinan-1-yl]methyl-triethoxysilane

[3,5-bis(triethoxysilylmethyl)-1,3,5-triazinan-1-yl]methyl-triethoxysilane (PubChem CID 67387813) has the molecular formula C24H57N3O9Si3 and a molecular weight of 615.99 g/mol. Its IUPAC name is [3,5-bis(triethoxysilylmethyl)-1,3,5-triazinan-1-yl]methyl-triethoxysilane.

Molecular Properties

Compound Name[3,5-bis(triethoxysilylmethyl)-1,3,5-triazinan-1-yl]methyl-triethoxysilane
PubChem CID67387813
Molecular FormulaC24H57N3O9Si3
Molecular Weight615.99 g/mol
Exact Mass615.34
IUPAC Name[3,5-bis(triethoxysilylmethyl)-1,3,5-triazinan-1-yl]methyl-triethoxysilane
SMILESCCO[Si](CN1CN(C[Si](OCC)(OCC)OCC)CN(C[Si](OCC)(OCC)OCC)C1)(OCC)OCC
InChIInChI=1S/C24H57N3O9Si3/c1-10-28-37(29-11-2,30-12-3)22-25-19-26(23-38(31-13-4,32-14-5)33-15-6)21-27(20-25)24-39(34-16-7,35-17-8)36-18-9/h10-24H2,1-9H3
InChIKeyJMBKXAGJJUIUMG-UHFFFAOYSA-N
XLogP2.54
TPSA92.79 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.99
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-Tris(3-(triethoxysilyl)propyl)-1,3,5-triazinane
CID 12510731
Tris(triethoxysilylmethyl) isocyanurate
CID 67431823
N,N'-dimethyl-N,N'-bis(triethoxysilylmethyl)methanediamine
CID 15643438
Triethoxy-[[3-(triethoxysilylmethyl)-1,3,5-triazinan-1-yl]methyl]silane
CID 67387259
1,3,5-Tris[[diethoxy(methyl)silyl]methyl]-1,3,5-triazinane-2,4,6-trione
CID 67430744
2-[3,5-Bis(2-trimethoxysilylethyl)-1,3,5-triazinan-1-yl]ethyl-trimethoxysilane
CID 174932872
2-[3,5-Bis(2-triethoxysilylethyl)-1,3,5-triazinan-1-yl]ethyl-triethoxysilane
CID 174933680
Triethoxy-[3-[2,4,6-trideuterio-3,5-bis(3-triethoxysilylpropyl)-1,3,5-triazinan-1-yl]propyl]silane
CID 175916402

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(triethoxysilylmethyl)-1,3,5-triazinan-1-yl]methyl-triethoxysilane?
The IUPAC name of [3,5-bis(triethoxysilylmethyl)-1,3,5-triazinan-1-yl]methyl-triethoxysilane (CID 67387813) is [3,5-bis(triethoxysilylmethyl)-1,3,5-triazinan-1-yl]methyl-triethoxysilane.
What is the SMILES notation for [3,5-bis(triethoxysilylmethyl)-1,3,5-triazinan-1-yl]methyl-triethoxysilane?
The canonical SMILES for [3,5-bis(triethoxysilylmethyl)-1,3,5-triazinan-1-yl]methyl-triethoxysilane is CCO[Si](CN1CN(C[Si](OCC)(OCC)OCC)CN(C[Si](OCC)(OCC)OCC)C1)(OCC)OCC.
What is the InChIKey of [3,5-bis(triethoxysilylmethyl)-1,3,5-triazinan-1-yl]methyl-triethoxysilane?
The InChIKey is JMBKXAGJJUIUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H57N3O9Si3/c1-10-28-37(29-11-2,30-12-3)22-25-19-26(23-38(31-13-4,32-14-5)33-15-6)21-27(20-25)24-39(34-16-7,35-17-8)36-18-9/h10-24H2,1-9H3.
What are the key properties of [3,5-bis(triethoxysilylmethyl)-1,3,5-triazinan-1-yl]methyl-triethoxysilane?
[3,5-bis(triethoxysilylmethyl)-1,3,5-triazinan-1-yl]methyl-triethoxysilane has a molecular weight of 615.99 g/mol, XLogP of 2.54, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(triethoxysilylmethyl)-1,3,5-triazinan-1-yl]methyl-triethoxysilane is sourced from PubChem (CID 67387813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).