1-butyl-3-[3-[dimethyl-(4-trimethylsilylphenyl)silyl]propyl]-5-methyl-1,3,5-triazinane-2,4,6-trione

C22H37N3O3Si2 — CID 71078798

IUPAC1-butyl-3-[3-[dimethyl-(4-trimethylsilylphenyl)silyl]propyl]-5-methyl-1,3,5-triazinane-2,4,6-trione
SMILESCCCCn1c(=O)n(C)c(=O)n(CCC[Si](C)(C)c2ccc([Si](C)(C)C)cc2)c1=O
InChIInChI=1S/C22H37N3O3Si2/c1-8-9-15-24-20(26)23(2)21(27)25(22(24)28)16-10-17-30(6,7)19-13-11-18(12-14-19)29(3,4)5/h11-14H,8-10,15-17H2,1-7H3
InChIKeyKQUXYXALGJSGJF-UHFFFAOYSA-N
MW447.73 g/mol
LogP2.06
Rot. Bonds9

About 1-butyl-3-[3-[dimethyl-(4-trimethylsilylphenyl)silyl]propyl]-5-methyl-1,3,5-triazinane-2,4,6-trione

1-butyl-3-[3-[dimethyl-(4-trimethylsilylphenyl)silyl]propyl]-5-methyl-1,3,5-triazinane-2,4,6-trione (PubChem CID 71078798) has the molecular formula C22H37N3O3Si2 and a molecular weight of 447.73 g/mol. Its IUPAC name is 1-butyl-3-[3-[dimethyl-(4-trimethylsilylphenyl)silyl]propyl]-5-methyl-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-butyl-3-[3-[dimethyl-(4-trimethylsilylphenyl)silyl]propyl]-5-methyl-1,3,5-triazinane-2,4,6-trione
PubChem CID71078798
Molecular FormulaC22H37N3O3Si2
Molecular Weight447.73 g/mol
Exact Mass447.24
IUPAC Name1-butyl-3-[3-[dimethyl-(4-trimethylsilylphenyl)silyl]propyl]-5-methyl-1,3,5-triazinane-2,4,6-trione
SMILESCCCCn1c(=O)n(C)c(=O)n(CCC[Si](C)(C)c2ccc([Si](C)(C)C)cc2)c1=O
InChIInChI=1S/C22H37N3O3Si2/c1-8-9-15-24-20(26)23(2)21(27)25(22(24)28)16-10-17-30(6,7)19-13-11-18(12-14-19)29(3,4)5/h11-14H,8-10,15-17H2,1-7H3
InChIKeyKQUXYXALGJSGJF-UHFFFAOYSA-N
XLogP2.06
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.73
LogP ≤ 52.06
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-butyl-3-[3-[dimethyl-(4-trimethylsilylphenyl)silyl]propyl]-5-methyl-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-butyl-3-[3-[dimethyl-(4-trimethylsilylphenyl)silyl]propyl]-5-methyl-1,3,5-triazinane-2,4,6-trione (CID 71078798) is 1-butyl-3-[3-[dimethyl-(4-trimethylsilylphenyl)silyl]propyl]-5-methyl-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-butyl-3-[3-[dimethyl-(4-trimethylsilylphenyl)silyl]propyl]-5-methyl-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-butyl-3-[3-[dimethyl-(4-trimethylsilylphenyl)silyl]propyl]-5-methyl-1,3,5-triazinane-2,4,6-trione is CCCCn1c(=O)n(C)c(=O)n(CCC[Si](C)(C)c2ccc([Si](C)(C)C)cc2)c1=O.
What is the InChIKey of 1-butyl-3-[3-[dimethyl-(4-trimethylsilylphenyl)silyl]propyl]-5-methyl-1,3,5-triazinane-2,4,6-trione?
The InChIKey is KQUXYXALGJSGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O3Si2/c1-8-9-15-24-20(26)23(2)21(27)25(22(24)28)16-10-17-30(6,7)19-13-11-18(12-14-19)29(3,4)5/h11-14H,8-10,15-17H2,1-7H3.
What are the key properties of 1-butyl-3-[3-[dimethyl-(4-trimethylsilylphenyl)silyl]propyl]-5-methyl-1,3,5-triazinane-2,4,6-trione?
1-butyl-3-[3-[dimethyl-(4-trimethylsilylphenyl)silyl]propyl]-5-methyl-1,3,5-triazinane-2,4,6-trione has a molecular weight of 447.73 g/mol, XLogP of 2.06, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[3-[dimethyl-(4-trimethylsilylphenyl)silyl]propyl]-5-methyl-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 71078798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).