2-[3,5-bis(2-triethoxysilylethyl)-1,3,5-triazinan-1-yl]ethyl-triethoxysilane

C27H63N3O9Si3 — CID 174933680

IUPAC2-[3,5-bis(2-triethoxysilylethyl)-1,3,5-triazinan-1-yl]ethyl-triethoxysilane
SMILESCCO[Si](CCN1CN(CC[Si](OCC)(OCC)OCC)CN(CC[Si](OCC)(OCC)OCC)C1)(OCC)OCC
InChIInChI=1S/C27H63N3O9Si3/c1-10-31-40(32-11-2,33-12-3)22-19-28-25-29(20-23-41(34-13-4,35-14-5)36-15-6)27-30(26-28)21-24-42(37-16-7,38-17-8)39-18-9/h10-27H2,1-9H3
InChIKeyYNMXWFHHZVDMKH-UHFFFAOYSA-N
MW658.07 g/mol
LogP3.92
Rot. Bonds27

About 2-[3,5-bis(2-triethoxysilylethyl)-1,3,5-triazinan-1-yl]ethyl-triethoxysilane

2-[3,5-bis(2-triethoxysilylethyl)-1,3,5-triazinan-1-yl]ethyl-triethoxysilane (PubChem CID 174933680) has the molecular formula C27H63N3O9Si3 and a molecular weight of 658.07 g/mol. Its IUPAC name is 2-[3,5-bis(2-triethoxysilylethyl)-1,3,5-triazinan-1-yl]ethyl-triethoxysilane.

Molecular Properties

Compound Name2-[3,5-bis(2-triethoxysilylethyl)-1,3,5-triazinan-1-yl]ethyl-triethoxysilane
PubChem CID174933680
Molecular FormulaC27H63N3O9Si3
Molecular Weight658.07 g/mol
Exact Mass657.39
IUPAC Name2-[3,5-bis(2-triethoxysilylethyl)-1,3,5-triazinan-1-yl]ethyl-triethoxysilane
SMILESCCO[Si](CCN1CN(CC[Si](OCC)(OCC)OCC)CN(CC[Si](OCC)(OCC)OCC)C1)(OCC)OCC
InChIInChI=1S/C27H63N3O9Si3/c1-10-31-40(32-11-2,33-12-3)22-19-28-25-29(20-23-41(34-13-4,35-14-5)36-15-6)27-30(26-28)21-24-42(37-16-7,38-17-8)39-18-9/h10-27H2,1-9H3
InChIKeyYNMXWFHHZVDMKH-UHFFFAOYSA-N
XLogP3.92
TPSA92.79 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds27
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.07
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(2-triethoxysilylethyl)-1,3,5-triazinan-1-yl]ethyl-triethoxysilane?
The IUPAC name of 2-[3,5-bis(2-triethoxysilylethyl)-1,3,5-triazinan-1-yl]ethyl-triethoxysilane (CID 174933680) is 2-[3,5-bis(2-triethoxysilylethyl)-1,3,5-triazinan-1-yl]ethyl-triethoxysilane.
What is the SMILES notation for 2-[3,5-bis(2-triethoxysilylethyl)-1,3,5-triazinan-1-yl]ethyl-triethoxysilane?
The canonical SMILES for 2-[3,5-bis(2-triethoxysilylethyl)-1,3,5-triazinan-1-yl]ethyl-triethoxysilane is CCO[Si](CCN1CN(CC[Si](OCC)(OCC)OCC)CN(CC[Si](OCC)(OCC)OCC)C1)(OCC)OCC.
What is the InChIKey of 2-[3,5-bis(2-triethoxysilylethyl)-1,3,5-triazinan-1-yl]ethyl-triethoxysilane?
The InChIKey is YNMXWFHHZVDMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H63N3O9Si3/c1-10-31-40(32-11-2,33-12-3)22-19-28-25-29(20-23-41(34-13-4,35-14-5)36-15-6)27-30(26-28)21-24-42(37-16-7,38-17-8)39-18-9/h10-27H2,1-9H3.
What are the key properties of 2-[3,5-bis(2-triethoxysilylethyl)-1,3,5-triazinan-1-yl]ethyl-triethoxysilane?
2-[3,5-bis(2-triethoxysilylethyl)-1,3,5-triazinan-1-yl]ethyl-triethoxysilane has a molecular weight of 658.07 g/mol, XLogP of 3.92, 27 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(2-triethoxysilylethyl)-1,3,5-triazinan-1-yl]ethyl-triethoxysilane is sourced from PubChem (CID 174933680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).