bis(2-trimethylsilylethyl) 2-oxopropanedioate

C13H26O5Si2 — CID 13326100

IUPACbis(2-trimethylsilylethyl) 2-oxopropanedioate
SMILESC[Si](C)(C)CCOC(=O)C(=O)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C13H26O5Si2/c1-19(2,3)9-7-17-12(15)11(14)13(16)18-8-10-20(4,5)6/h7-10H2,1-6H3
InChIKeyGTKOZGMPHXLVNO-UHFFFAOYSA-N
MW318.52 g/mol
LogP2.32
Rot. Bonds8

About bis(2-trimethylsilylethyl) 2-oxopropanedioate

bis(2-trimethylsilylethyl) 2-oxopropanedioate (PubChem CID 13326100) has the molecular formula C13H26O5Si2 and a molecular weight of 318.52 g/mol. Its IUPAC name is bis(2-trimethylsilylethyl) 2-oxopropanedioate.

Molecular Properties

Compound Namebis(2-trimethylsilylethyl) 2-oxopropanedioate
PubChem CID13326100
Molecular FormulaC13H26O5Si2
Molecular Weight318.52 g/mol
Exact Mass318.13
IUPAC Namebis(2-trimethylsilylethyl) 2-oxopropanedioate
SMILESC[Si](C)(C)CCOC(=O)C(=O)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C13H26O5Si2/c1-19(2,3)9-7-17-12(15)11(14)13(16)18-8-10-20(4,5)6/h7-10H2,1-6H3
InChIKeyGTKOZGMPHXLVNO-UHFFFAOYSA-N
XLogP2.32
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.52
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2-trimethylsilylethyl) 2-oxopropanedioate?
The IUPAC name of bis(2-trimethylsilylethyl) 2-oxopropanedioate (CID 13326100) is bis(2-trimethylsilylethyl) 2-oxopropanedioate.
What is the SMILES notation for bis(2-trimethylsilylethyl) 2-oxopropanedioate?
The canonical SMILES for bis(2-trimethylsilylethyl) 2-oxopropanedioate is C[Si](C)(C)CCOC(=O)C(=O)C(=O)OCC[Si](C)(C)C.
What is the InChIKey of bis(2-trimethylsilylethyl) 2-oxopropanedioate?
The InChIKey is GTKOZGMPHXLVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O5Si2/c1-19(2,3)9-7-17-12(15)11(14)13(16)18-8-10-20(4,5)6/h7-10H2,1-6H3.
What are the key properties of bis(2-trimethylsilylethyl) 2-oxopropanedioate?
bis(2-trimethylsilylethyl) 2-oxopropanedioate has a molecular weight of 318.52 g/mol, XLogP of 2.32, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-trimethylsilylethyl) 2-oxopropanedioate is sourced from PubChem (CID 13326100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).