bis(trimethylsilyl) 2-oxopentanedioate

C11H22O5Si2 — CID 530074

IUPACbis(trimethylsilyl) 2-oxopentanedioate
SMILESC[Si](C)(C)OC(=O)CCC(=O)C(=O)O[Si](C)(C)C
InChIInChI=1S/C11H22O5Si2/c1-17(2,3)15-10(13)8-7-9(12)11(14)16-18(4,5)6/h7-8H2,1-6H3
InChIKeySIKHZPCWBUXAKA-UHFFFAOYSA-N
MW290.46 g/mol
LogP2.09
Rot. Bonds6

About bis(trimethylsilyl) 2-oxopentanedioate

bis(trimethylsilyl) 2-oxopentanedioate (PubChem CID 530074) has the molecular formula C11H22O5Si2 and a molecular weight of 290.46 g/mol. Its IUPAC name is bis(trimethylsilyl) 2-oxopentanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 2-oxopentanedioate
PubChem CID530074
Molecular FormulaC11H22O5Si2
Molecular Weight290.46 g/mol
Exact Mass290.10
IUPAC Namebis(trimethylsilyl) 2-oxopentanedioate
SMILESC[Si](C)(C)OC(=O)CCC(=O)C(=O)O[Si](C)(C)C
InChIInChI=1S/C11H22O5Si2/c1-17(2,3)15-10(13)8-7-9(12)11(14)16-18(4,5)6/h7-8H2,1-6H3
InChIKeySIKHZPCWBUXAKA-UHFFFAOYSA-N
XLogP2.09
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Pentanedioic acid, bis(trimethylsilyl) ester
CID 521625
2-Ketoglutaric acid, diTBDMS
CID 6430554
3-acetyl pentanedioic acid, TMS ester
CID 91749506
alpha-Ketoglutaric acid, trimethylsilyl ester
CID 85539642

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) 2-oxopentanedioate?
The IUPAC name of bis(trimethylsilyl) 2-oxopentanedioate (CID 530074) is bis(trimethylsilyl) 2-oxopentanedioate.
What is the SMILES notation for bis(trimethylsilyl) 2-oxopentanedioate?
The canonical SMILES for bis(trimethylsilyl) 2-oxopentanedioate is C[Si](C)(C)OC(=O)CCC(=O)C(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) 2-oxopentanedioate?
The InChIKey is SIKHZPCWBUXAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O5Si2/c1-17(2,3)15-10(13)8-7-9(12)11(14)16-18(4,5)6/h7-8H2,1-6H3.
What are the key properties of bis(trimethylsilyl) 2-oxopentanedioate?
bis(trimethylsilyl) 2-oxopentanedioate has a molecular weight of 290.46 g/mol, XLogP of 2.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) 2-oxopentanedioate is sourced from PubChem (CID 530074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).