1,3,5-tris[2-[dimethoxy(methyl)silyl]ethyl]-1,3,5-triazinane-2,4,6-trione

C18H39N3O9Si3 — CID 174105711

IUPAC1,3,5-tris[2-[dimethoxy(methyl)silyl]ethyl]-1,3,5-triazinane-2,4,6-trione
SMILESCO[Si](C)(CCn1c(=O)n(CC[Si](C)(OC)OC)c(=O)n(CC[Si](C)(OC)OC)c1=O)OC
InChIInChI=1S/C18H39N3O9Si3/c1-25-31(7,26-2)13-10-19-16(22)20(11-14-32(8,27-3)28-4)18(24)21(17(19)23)12-15-33(9,29-5)30-6/h10-15H2,1-9H3
InChIKeyOIXSEBRUNZSBHV-UHFFFAOYSA-N
MW525.78 g/mol
LogP0.27
Rot. Bonds15

About 1,3,5-tris[2-[dimethoxy(methyl)silyl]ethyl]-1,3,5-triazinane-2,4,6-trione

1,3,5-tris[2-[dimethoxy(methyl)silyl]ethyl]-1,3,5-triazinane-2,4,6-trione (PubChem CID 174105711) has the molecular formula C18H39N3O9Si3 and a molecular weight of 525.78 g/mol. Its IUPAC name is 1,3,5-tris[2-[dimethoxy(methyl)silyl]ethyl]-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-tris[2-[dimethoxy(methyl)silyl]ethyl]-1,3,5-triazinane-2,4,6-trione
PubChem CID174105711
Molecular FormulaC18H39N3O9Si3
Molecular Weight525.78 g/mol
Exact Mass525.20
IUPAC Name1,3,5-tris[2-[dimethoxy(methyl)silyl]ethyl]-1,3,5-triazinane-2,4,6-trione
SMILESCO[Si](C)(CCn1c(=O)n(CC[Si](C)(OC)OC)c(=O)n(CC[Si](C)(OC)OC)c1=O)OC
InChIInChI=1S/C18H39N3O9Si3/c1-25-31(7,26-2)13-10-19-16(22)20(11-14-32(8,27-3)28-4)18(24)21(17(19)23)12-15-33(9,29-5)30-6/h10-15H2,1-9H3
InChIKeyOIXSEBRUNZSBHV-UHFFFAOYSA-N
XLogP0.27
TPSA121.38 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.78
LogP ≤ 50.27
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 1,3,5-tris[2-[dimethoxy(methyl)silyl]ethyl]-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3,5-tris[2-[dimethoxy(methyl)silyl]ethyl]-1,3,5-triazinane-2,4,6-trione (CID 174105711) is 1,3,5-tris[2-[dimethoxy(methyl)silyl]ethyl]-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-tris[2-[dimethoxy(methyl)silyl]ethyl]-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-tris[2-[dimethoxy(methyl)silyl]ethyl]-1,3,5-triazinane-2,4,6-trione is CO[Si](C)(CCn1c(=O)n(CC[Si](C)(OC)OC)c(=O)n(CC[Si](C)(OC)OC)c1=O)OC.
What is the InChIKey of 1,3,5-tris[2-[dimethoxy(methyl)silyl]ethyl]-1,3,5-triazinane-2,4,6-trione?
The InChIKey is OIXSEBRUNZSBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N3O9Si3/c1-25-31(7,26-2)13-10-19-16(22)20(11-14-32(8,27-3)28-4)18(24)21(17(19)23)12-15-33(9,29-5)30-6/h10-15H2,1-9H3.
What are the key properties of 1,3,5-tris[2-[dimethoxy(methyl)silyl]ethyl]-1,3,5-triazinane-2,4,6-trione?
1,3,5-tris[2-[dimethoxy(methyl)silyl]ethyl]-1,3,5-triazinane-2,4,6-trione has a molecular weight of 525.78 g/mol, XLogP of 0.27, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris[2-[dimethoxy(methyl)silyl]ethyl]-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 174105711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).