1,3,5-tris[3-(diethoxymethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione

C27H57N3O9Si3 — CID 154063195

IUPAC1,3,5-tris[3-(diethoxymethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione
SMILESCCOC(OCC)[SiH2]CCCn1c(=O)n(CCC[SiH2]C(OCC)OCC)c(=O)n(CCC[SiH2]C(OCC)OCC)c1=O
InChIInChI=1S/C27H57N3O9Si3/c1-7-34-25(35-8-2)40-19-13-16-28-22(31)29(17-14-20-41-26(36-9-3)37-10-4)24(33)30(23(28)32)18-15-21-42-27(38-11-5)39-12-6/h25-27H,7-21,40-42H2,1-6H3
InChIKeyNLRUESNOPIPJFM-UHFFFAOYSA-N
MW652.02 g/mol
LogP0.17
Rot. Bonds27

About 1,3,5-tris[3-(diethoxymethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione

1,3,5-tris[3-(diethoxymethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione (PubChem CID 154063195) has the molecular formula C27H57N3O9Si3 and a molecular weight of 652.02 g/mol. Its IUPAC name is 1,3,5-tris[3-(diethoxymethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-tris[3-(diethoxymethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione
PubChem CID154063195
Molecular FormulaC27H57N3O9Si3
Molecular Weight652.02 g/mol
Exact Mass651.34
IUPAC Name1,3,5-tris[3-(diethoxymethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione
SMILESCCOC(OCC)[SiH2]CCCn1c(=O)n(CCC[SiH2]C(OCC)OCC)c(=O)n(CCC[SiH2]C(OCC)OCC)c1=O
InChIInChI=1S/C27H57N3O9Si3/c1-7-34-25(35-8-2)40-19-13-16-28-22(31)29(17-14-20-41-26(36-9-3)37-10-4)24(33)30(23(28)32)18-15-21-42-27(38-11-5)39-12-6/h25-27H,7-21,40-42H2,1-6H3
InChIKeyNLRUESNOPIPJFM-UHFFFAOYSA-N
XLogP0.17
TPSA121.38 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds27
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.02
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

diethoxymethyl-[3-(diethoxymethylsilyl)propyl]silane
CID 123160083
diethoxymethyl-[8-(diethoxymethylsilyl)octyl]silane
CID 123758239
1-[3-(dibutoxymethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione
CID 172845365
3-(1,4-azasilinan-1-yl)propyl-(diethoxymethyl)silane
CID 3056900
diethoxymethyl(heptadecyl)silane
CID 154220252
diethoxymethyl(tridecyl)silane
CID 154372881
3-(diethoxymethylsilyl)-N-[3-(diethoxymethylsilyl)propyl]-N-methylpropan-1-amine
CID 154169391
3-(diethoxymethylsilyl)propyl hydrogen carbonate
CID 173009319
diethoxymethyl-[3-[3-(diethoxymethylsilyl)propyltrisulfanyl]propyl]silane
CID 154121374
6-(diethoxymethylsilyl)hexyl-ethoxy-dimethylsilane
CID 123869015
3-(diethoxymethylsilyl)propanenitrile
CID 154197522
3-(diethoxymethylsilyl)-N,N-bis(trimethylsilyl)propan-1-amine
CID 149152613

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris[3-(diethoxymethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3,5-tris[3-(diethoxymethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione (CID 154063195) is 1,3,5-tris[3-(diethoxymethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-tris[3-(diethoxymethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-tris[3-(diethoxymethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione is CCOC(OCC)[SiH2]CCCn1c(=O)n(CCC[SiH2]C(OCC)OCC)c(=O)n(CCC[SiH2]C(OCC)OCC)c1=O.
What is the InChIKey of 1,3,5-tris[3-(diethoxymethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione?
The InChIKey is NLRUESNOPIPJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H57N3O9Si3/c1-7-34-25(35-8-2)40-19-13-16-28-22(31)29(17-14-20-41-26(36-9-3)37-10-4)24(33)30(23(28)32)18-15-21-42-27(38-11-5)39-12-6/h25-27H,7-21,40-42H2,1-6H3.
What are the key properties of 1,3,5-tris[3-(diethoxymethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione?
1,3,5-tris[3-(diethoxymethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione has a molecular weight of 652.02 g/mol, XLogP of 0.17, 27 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris[3-(diethoxymethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 154063195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).