bis(trimethylsilyl) 2-trimethylsilylpropanedioate

C12H28O4Si3 — CID 553142

IUPACbis(trimethylsilyl) 2-trimethylsilylpropanedioate
SMILESC[Si](C)(C)OC(=O)C(C(=O)O[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C12H28O4Si3/c1-17(2,3)10(11(13)15-18(4,5)6)12(14)16-19(7,8)9/h10H,1-9H3
InChIKeyJUYALHQGVASOOF-UHFFFAOYSA-N
MW320.61 g/mol
LogP3.45
Rot. Bonds5

About bis(trimethylsilyl) 2-trimethylsilylpropanedioate

bis(trimethylsilyl) 2-trimethylsilylpropanedioate (PubChem CID 553142) has the molecular formula C12H28O4Si3 and a molecular weight of 320.61 g/mol. Its IUPAC name is bis(trimethylsilyl) 2-trimethylsilylpropanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 2-trimethylsilylpropanedioate
PubChem CID553142
Molecular FormulaC12H28O4Si3
Molecular Weight320.61 g/mol
Exact Mass320.13
IUPAC Namebis(trimethylsilyl) 2-trimethylsilylpropanedioate
SMILESC[Si](C)(C)OC(=O)C(C(=O)O[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C12H28O4Si3/c1-17(2,3)10(11(13)15-18(4,5)6)12(14)16-19(7,8)9/h10H,1-9H3
InChIKeyJUYALHQGVASOOF-UHFFFAOYSA-N
XLogP3.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.61
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', '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-trimethylsilylpropanedioate?
The IUPAC name of bis(trimethylsilyl) 2-trimethylsilylpropanedioate (CID 553142) is bis(trimethylsilyl) 2-trimethylsilylpropanedioate.
What is the SMILES notation for bis(trimethylsilyl) 2-trimethylsilylpropanedioate?
The canonical SMILES for bis(trimethylsilyl) 2-trimethylsilylpropanedioate is C[Si](C)(C)OC(=O)C(C(=O)O[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) 2-trimethylsilylpropanedioate?
The InChIKey is JUYALHQGVASOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O4Si3/c1-17(2,3)10(11(13)15-18(4,5)6)12(14)16-19(7,8)9/h10H,1-9H3.
What are the key properties of bis(trimethylsilyl) 2-trimethylsilylpropanedioate?
bis(trimethylsilyl) 2-trimethylsilylpropanedioate has a molecular weight of 320.61 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) 2-trimethylsilylpropanedioate is sourced from PubChem (CID 553142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).