1-[8-[diethoxy(methyl)silyl]octyl]pyrimidine-2,4-dione

C17H32N2O4Si — CID 169034393

IUPAC1-[8-[diethoxy(methyl)silyl]octyl]pyrimidine-2,4-dione
SMILESCCO[Si](C)(CCCCCCCCn1ccc(=O)[nH]c1=O)OCC
InChIInChI=1S/C17H32N2O4Si/c1-4-22-24(3,23-5-2)15-11-9-7-6-8-10-13-19-14-12-16(20)18-17(19)21/h12,14H,4-11,13,15H2,1-3H3,(H,18,20,21)
InChIKeyZMSOTWFCLSCRDZ-UHFFFAOYSA-N
MW356.54 g/mol
LogP3.02
Rot. Bonds13

About 1-[8-[diethoxy(methyl)silyl]octyl]pyrimidine-2,4-dione

1-[8-[diethoxy(methyl)silyl]octyl]pyrimidine-2,4-dione (PubChem CID 169034393) has the molecular formula C17H32N2O4Si and a molecular weight of 356.54 g/mol. Its IUPAC name is 1-[8-[diethoxy(methyl)silyl]octyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[8-[diethoxy(methyl)silyl]octyl]pyrimidine-2,4-dione
PubChem CID169034393
Molecular FormulaC17H32N2O4Si
Molecular Weight356.54 g/mol
Exact Mass356.21
IUPAC Name1-[8-[diethoxy(methyl)silyl]octyl]pyrimidine-2,4-dione
SMILESCCO[Si](C)(CCCCCCCCn1ccc(=O)[nH]c1=O)OCC
InChIInChI=1S/C17H32N2O4Si/c1-4-22-24(3,23-5-2)15-11-9-7-6-8-10-13-19-14-12-16(20)18-17(19)21/h12,14H,4-11,13,15H2,1-3H3,(H,18,20,21)
InChIKeyZMSOTWFCLSCRDZ-UHFFFAOYSA-N
XLogP3.02
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.54
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[8-[diethoxy(methyl)silyl]octyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[8-[diethoxy(methyl)silyl]octyl]pyrimidine-2,4-dione (CID 169034393) is 1-[8-[diethoxy(methyl)silyl]octyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[8-[diethoxy(methyl)silyl]octyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[8-[diethoxy(methyl)silyl]octyl]pyrimidine-2,4-dione is CCO[Si](C)(CCCCCCCCn1ccc(=O)[nH]c1=O)OCC.
What is the InChIKey of 1-[8-[diethoxy(methyl)silyl]octyl]pyrimidine-2,4-dione?
The InChIKey is ZMSOTWFCLSCRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O4Si/c1-4-22-24(3,23-5-2)15-11-9-7-6-8-10-13-19-14-12-16(20)18-17(19)21/h12,14H,4-11,13,15H2,1-3H3,(H,18,20,21).
What are the key properties of 1-[8-[diethoxy(methyl)silyl]octyl]pyrimidine-2,4-dione?
1-[8-[diethoxy(methyl)silyl]octyl]pyrimidine-2,4-dione has a molecular weight of 356.54 g/mol, XLogP of 3.02, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-[diethoxy(methyl)silyl]octyl]pyrimidine-2,4-dione is sourced from PubChem (CID 169034393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).