2-[3,5-bis(2-trimethoxysilylethyl)-1,3,5-triazinan-1-yl]ethyl-trimethoxysilane

C18H45N3O9Si3 — CID 174932872

IUPAC2-[3,5-bis(2-trimethoxysilylethyl)-1,3,5-triazinan-1-yl]ethyl-trimethoxysilane
SMILESCO[Si](CCN1CN(CC[Si](OC)(OC)OC)CN(CC[Si](OC)(OC)OC)C1)(OC)OC
InChIInChI=1S/C18H45N3O9Si3/c1-22-31(23-2,24-3)13-10-19-16-20(11-14-32(25-4,26-5)27-6)18-21(17-19)12-15-33(28-7,29-8)30-9/h10-18H2,1-9H3
InChIKeyQRYZISNTMVHEAL-UHFFFAOYSA-N
MW531.83 g/mol
LogP0.41
Rot. Bonds18

About 2-[3,5-bis(2-trimethoxysilylethyl)-1,3,5-triazinan-1-yl]ethyl-trimethoxysilane

2-[3,5-bis(2-trimethoxysilylethyl)-1,3,5-triazinan-1-yl]ethyl-trimethoxysilane (PubChem CID 174932872) has the molecular formula C18H45N3O9Si3 and a molecular weight of 531.83 g/mol. Its IUPAC name is 2-[3,5-bis(2-trimethoxysilylethyl)-1,3,5-triazinan-1-yl]ethyl-trimethoxysilane.

Molecular Properties

Compound Name2-[3,5-bis(2-trimethoxysilylethyl)-1,3,5-triazinan-1-yl]ethyl-trimethoxysilane
PubChem CID174932872
Molecular FormulaC18H45N3O9Si3
Molecular Weight531.83 g/mol
Exact Mass531.25
IUPAC Name2-[3,5-bis(2-trimethoxysilylethyl)-1,3,5-triazinan-1-yl]ethyl-trimethoxysilane
SMILESCO[Si](CCN1CN(CC[Si](OC)(OC)OC)CN(CC[Si](OC)(OC)OC)C1)(OC)OC
InChIInChI=1S/C18H45N3O9Si3/c1-22-31(23-2,24-3)13-10-19-16-20(11-14-32(25-4,26-5)27-6)18-21(17-19)12-15-33(28-7,29-8)30-9/h10-18H2,1-9H3
InChIKeyQRYZISNTMVHEAL-UHFFFAOYSA-N
XLogP0.41
TPSA92.79 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.83
LogP ≤ 50.41
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-trimethoxysilylethyl)-1,3,5-triazinan-1-yl]ethyl-trimethoxysilane?
The IUPAC name of 2-[3,5-bis(2-trimethoxysilylethyl)-1,3,5-triazinan-1-yl]ethyl-trimethoxysilane (CID 174932872) is 2-[3,5-bis(2-trimethoxysilylethyl)-1,3,5-triazinan-1-yl]ethyl-trimethoxysilane.
What is the SMILES notation for 2-[3,5-bis(2-trimethoxysilylethyl)-1,3,5-triazinan-1-yl]ethyl-trimethoxysilane?
The canonical SMILES for 2-[3,5-bis(2-trimethoxysilylethyl)-1,3,5-triazinan-1-yl]ethyl-trimethoxysilane is CO[Si](CCN1CN(CC[Si](OC)(OC)OC)CN(CC[Si](OC)(OC)OC)C1)(OC)OC.
What is the InChIKey of 2-[3,5-bis(2-trimethoxysilylethyl)-1,3,5-triazinan-1-yl]ethyl-trimethoxysilane?
The InChIKey is QRYZISNTMVHEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H45N3O9Si3/c1-22-31(23-2,24-3)13-10-19-16-20(11-14-32(25-4,26-5)27-6)18-21(17-19)12-15-33(28-7,29-8)30-9/h10-18H2,1-9H3.
What are the key properties of 2-[3,5-bis(2-trimethoxysilylethyl)-1,3,5-triazinan-1-yl]ethyl-trimethoxysilane?
2-[3,5-bis(2-trimethoxysilylethyl)-1,3,5-triazinan-1-yl]ethyl-trimethoxysilane has a molecular weight of 531.83 g/mol, XLogP of 0.41, 18 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-trimethoxysilylethyl)-1,3,5-triazinan-1-yl]ethyl-trimethoxysilane is sourced from PubChem (CID 174932872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).