1-[3-[ethyl(dimethoxy)silyl]propyl]-3,5-bis(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione

C22H47N3O11Si3 — CID 67100587

IUPAC1-[3-[ethyl(dimethoxy)silyl]propyl]-3,5-bis(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione
SMILESCC[Si](CCCn1c(=O)n(CCC[Si](OC)(OC)OC)c(=O)n(CCC[Si](OC)(OC)OC)c1=O)(OC)OC
InChIInChI=1S/C22H47N3O11Si3/c1-10-37(29-2,30-3)17-11-14-23-20(26)24(15-12-18-38(31-4,32-5)33-6)22(28)25(21(23)27)16-13-19-39(34-7,35-8)36-9/h10-19H2,1-9H3
InChIKeyVJEMIQRDBKKBAD-UHFFFAOYSA-N
MW613.89 g/mol
LogP0.85
Rot. Bonds21

About 1-[3-[ethyl(dimethoxy)silyl]propyl]-3,5-bis(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione

1-[3-[ethyl(dimethoxy)silyl]propyl]-3,5-bis(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 67100587) has the molecular formula C22H47N3O11Si3 and a molecular weight of 613.89 g/mol. Its IUPAC name is 1-[3-[ethyl(dimethoxy)silyl]propyl]-3,5-bis(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-[3-[ethyl(dimethoxy)silyl]propyl]-3,5-bis(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID67100587
Molecular FormulaC22H47N3O11Si3
Molecular Weight613.89 g/mol
Exact Mass613.25
IUPAC Name1-[3-[ethyl(dimethoxy)silyl]propyl]-3,5-bis(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione
SMILESCC[Si](CCCn1c(=O)n(CCC[Si](OC)(OC)OC)c(=O)n(CCC[Si](OC)(OC)OC)c1=O)(OC)OC
InChIInChI=1S/C22H47N3O11Si3/c1-10-37(29-2,30-3)17-11-14-23-20(26)24(15-12-18-38(31-4,32-5)33-6)22(28)25(21(23)27)16-13-19-39(34-7,35-8)36-9/h10-19H2,1-9H3
InChIKeyVJEMIQRDBKKBAD-UHFFFAOYSA-N
XLogP0.85
TPSA139.84 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds21
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.89
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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 1-[3-[ethyl(dimethoxy)silyl]propyl]-3,5-bis(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-[3-[ethyl(dimethoxy)silyl]propyl]-3,5-bis(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione (CID 67100587) is 1-[3-[ethyl(dimethoxy)silyl]propyl]-3,5-bis(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-[3-[ethyl(dimethoxy)silyl]propyl]-3,5-bis(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-[3-[ethyl(dimethoxy)silyl]propyl]-3,5-bis(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione is CC[Si](CCCn1c(=O)n(CCC[Si](OC)(OC)OC)c(=O)n(CCC[Si](OC)(OC)OC)c1=O)(OC)OC.
What is the InChIKey of 1-[3-[ethyl(dimethoxy)silyl]propyl]-3,5-bis(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is VJEMIQRDBKKBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47N3O11Si3/c1-10-37(29-2,30-3)17-11-14-23-20(26)24(15-12-18-38(31-4,32-5)33-6)22(28)25(21(23)27)16-13-19-39(34-7,35-8)36-9/h10-19H2,1-9H3.
What are the key properties of 1-[3-[ethyl(dimethoxy)silyl]propyl]-3,5-bis(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione?
1-[3-[ethyl(dimethoxy)silyl]propyl]-3,5-bis(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 613.89 g/mol, XLogP of 0.85, 21 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[ethyl(dimethoxy)silyl]propyl]-3,5-bis(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 67100587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).