methyl 2,6-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinane-4-carboxylate

C12H22N2O5Si — CID 156593558

IUPACmethyl 2,6-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinane-4-carboxylate
SMILESCOC(=O)C1CC(=O)NC(=O)N1COCC[Si](C)(C)C
InChIInChI=1S/C12H22N2O5Si/c1-18-11(16)9-7-10(15)13-12(17)14(9)8-19-5-6-20(2,3)4/h9H,5-8H2,1-4H3,(H,13,15,17)
InChIKeyYWWKVNYIZOLOIO-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.78
Rot. Bonds6

About methyl 2,6-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinane-4-carboxylate

methyl 2,6-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinane-4-carboxylate (PubChem CID 156593558) has the molecular formula C12H22N2O5Si and a molecular weight of 302.40 g/mol. Its IUPAC name is methyl 2,6-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinane-4-carboxylate.

Molecular Properties

Compound Namemethyl 2,6-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinane-4-carboxylate
PubChem CID156593558
Molecular FormulaC12H22N2O5Si
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC Namemethyl 2,6-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinane-4-carboxylate
SMILESCOC(=O)C1CC(=O)NC(=O)N1COCC[Si](C)(C)C
InChIInChI=1S/C12H22N2O5Si/c1-18-11(16)9-7-10(15)13-12(17)14(9)8-19-5-6-20(2,3)4/h9H,5-8H2,1-4H3,(H,13,15,17)
InChIKeyYWWKVNYIZOLOIO-UHFFFAOYSA-N
XLogP0.78
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.78
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 methyl 2,6-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinane-4-carboxylate?
The IUPAC name of methyl 2,6-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinane-4-carboxylate (CID 156593558) is methyl 2,6-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinane-4-carboxylate.
What is the SMILES notation for methyl 2,6-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinane-4-carboxylate?
The canonical SMILES for methyl 2,6-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinane-4-carboxylate is COC(=O)C1CC(=O)NC(=O)N1COCC[Si](C)(C)C.
What is the InChIKey of methyl 2,6-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinane-4-carboxylate?
The InChIKey is YWWKVNYIZOLOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5Si/c1-18-11(16)9-7-10(15)13-12(17)14(9)8-19-5-6-20(2,3)4/h9H,5-8H2,1-4H3,(H,13,15,17).
What are the key properties of methyl 2,6-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinane-4-carboxylate?
methyl 2,6-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinane-4-carboxylate has a molecular weight of 302.40 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,6-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinane-4-carboxylate is sourced from PubChem (CID 156593558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).