bis(trimethylsilyl) 2-oxopropanedioate

C9H18O5Si2 — CID 23324411

IUPACbis(trimethylsilyl) 2-oxopropanedioate
SMILESC[Si](C)(C)OC(=O)C(=O)C(=O)O[Si](C)(C)C
InChIInChI=1S/C9H18O5Si2/c1-15(2,3)13-8(11)7(10)9(12)14-16(4,5)6/h1-6H3
InChIKeyRVWPJPXRWFZIEK-UHFFFAOYSA-N
MW262.41 g/mol
LogP1.31
Rot. Bonds4

About bis(trimethylsilyl) 2-oxopropanedioate

bis(trimethylsilyl) 2-oxopropanedioate (PubChem CID 23324411) has the molecular formula C9H18O5Si2 and a molecular weight of 262.41 g/mol. Its IUPAC name is bis(trimethylsilyl) 2-oxopropanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 2-oxopropanedioate
PubChem CID23324411
Molecular FormulaC9H18O5Si2
Molecular Weight262.41 g/mol
Exact Mass262.07
IUPAC Namebis(trimethylsilyl) 2-oxopropanedioate
SMILESC[Si](C)(C)OC(=O)C(=O)C(=O)O[Si](C)(C)C
InChIInChI=1S/C9H18O5Si2/c1-15(2,3)13-8(11)7(10)9(12)14-16(4,5)6/h1-6H3
InChIKeyRVWPJPXRWFZIEK-UHFFFAOYSA-N
XLogP1.31
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.41
LogP ≤ 51.31
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(trimethylsilyl) 2-oxopropanedioate?
The IUPAC name of bis(trimethylsilyl) 2-oxopropanedioate (CID 23324411) is bis(trimethylsilyl) 2-oxopropanedioate.
What is the SMILES notation for bis(trimethylsilyl) 2-oxopropanedioate?
The canonical SMILES for bis(trimethylsilyl) 2-oxopropanedioate is C[Si](C)(C)OC(=O)C(=O)C(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) 2-oxopropanedioate?
The InChIKey is RVWPJPXRWFZIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O5Si2/c1-15(2,3)13-8(11)7(10)9(12)14-16(4,5)6/h1-6H3.
What are the key properties of bis(trimethylsilyl) 2-oxopropanedioate?
bis(trimethylsilyl) 2-oxopropanedioate has a molecular weight of 262.41 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) 2-oxopropanedioate is sourced from PubChem (CID 23324411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).