1,3-bis(3-triethylsilylpropyl)-5-(trimethylsilylmethyl)-1,3,5-triazinane-2,4,6-trione

C25H53N3O3Si3 — CID 153322050

IUPAC1,3-bis(3-triethylsilylpropyl)-5-(trimethylsilylmethyl)-1,3,5-triazinane-2,4,6-trione
SMILESCC[Si](CC)(CC)CCCn1c(=O)n(CCC[Si](CC)(CC)CC)c(=O)n(C[Si](C)(C)C)c1=O
InChIInChI=1S/C25H53N3O3Si3/c1-10-33(11-2,12-3)20-16-18-26-23(29)27(19-17-21-34(13-4,14-5)15-6)25(31)28(24(26)30)22-32(7,8)9/h10-22H2,1-9H3
InChIKeyFREGHNROPPFING-UHFFFAOYSA-N
MW527.98 g/mol
LogP5.85
Rot. Bonds16

About 1,3-bis(3-triethylsilylpropyl)-5-(trimethylsilylmethyl)-1,3,5-triazinane-2,4,6-trione

1,3-bis(3-triethylsilylpropyl)-5-(trimethylsilylmethyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 153322050) has the molecular formula C25H53N3O3Si3 and a molecular weight of 527.98 g/mol. Its IUPAC name is 1,3-bis(3-triethylsilylpropyl)-5-(trimethylsilylmethyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-bis(3-triethylsilylpropyl)-5-(trimethylsilylmethyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID153322050
Molecular FormulaC25H53N3O3Si3
Molecular Weight527.98 g/mol
Exact Mass527.34
IUPAC Name1,3-bis(3-triethylsilylpropyl)-5-(trimethylsilylmethyl)-1,3,5-triazinane-2,4,6-trione
SMILESCC[Si](CC)(CC)CCCn1c(=O)n(CCC[Si](CC)(CC)CC)c(=O)n(C[Si](C)(C)C)c1=O
InChIInChI=1S/C25H53N3O3Si3/c1-10-33(11-2,12-3)20-16-18-26-23(29)27(19-17-21-34(13-4,14-5)15-6)25(31)28(24(26)30)22-32(7,8)9/h10-22H2,1-9H3
InChIKeyFREGHNROPPFING-UHFFFAOYSA-N
XLogP5.85
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.98
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-bis(3-triethylsilylpropyl)-5-(trimethylsilylmethyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3-bis(3-triethylsilylpropyl)-5-(trimethylsilylmethyl)-1,3,5-triazinane-2,4,6-trione (CID 153322050) is 1,3-bis(3-triethylsilylpropyl)-5-(trimethylsilylmethyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3-bis(3-triethylsilylpropyl)-5-(trimethylsilylmethyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3-bis(3-triethylsilylpropyl)-5-(trimethylsilylmethyl)-1,3,5-triazinane-2,4,6-trione is CC[Si](CC)(CC)CCCn1c(=O)n(CCC[Si](CC)(CC)CC)c(=O)n(C[Si](C)(C)C)c1=O.
What is the InChIKey of 1,3-bis(3-triethylsilylpropyl)-5-(trimethylsilylmethyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is FREGHNROPPFING-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H53N3O3Si3/c1-10-33(11-2,12-3)20-16-18-26-23(29)27(19-17-21-34(13-4,14-5)15-6)25(31)28(24(26)30)22-32(7,8)9/h10-22H2,1-9H3.
What are the key properties of 1,3-bis(3-triethylsilylpropyl)-5-(trimethylsilylmethyl)-1,3,5-triazinane-2,4,6-trione?
1,3-bis(3-triethylsilylpropyl)-5-(trimethylsilylmethyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 527.98 g/mol, XLogP of 5.85, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3-triethylsilylpropyl)-5-(trimethylsilylmethyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 153322050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).