bis(trimethylsilyl) 2-trimethylsilyl-2-trimethylsilyloxypropanedioate

C15H36O5Si4 — CID 553155

IUPACbis(trimethylsilyl) 2-trimethylsilyl-2-trimethylsilyloxypropanedioate
SMILESC[Si](C)(C)OC(=O)C(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C15H36O5Si4/c1-21(2,3)15(20-24(10,11)12,13(16)18-22(4,5)6)14(17)19-23(7,8)9/h1-12H3
InChIKeyAMTNTQJQBRWEDX-UHFFFAOYSA-N
MW408.79 g/mol
LogP4.21
Rot. Bonds7

About bis(trimethylsilyl) 2-trimethylsilyl-2-trimethylsilyloxypropanedioate

bis(trimethylsilyl) 2-trimethylsilyl-2-trimethylsilyloxypropanedioate (PubChem CID 553155) has the molecular formula C15H36O5Si4 and a molecular weight of 408.79 g/mol. Its IUPAC name is bis(trimethylsilyl) 2-trimethylsilyl-2-trimethylsilyloxypropanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 2-trimethylsilyl-2-trimethylsilyloxypropanedioate
PubChem CID553155
Molecular FormulaC15H36O5Si4
Molecular Weight408.79 g/mol
Exact Mass408.16
IUPAC Namebis(trimethylsilyl) 2-trimethylsilyl-2-trimethylsilyloxypropanedioate
SMILESC[Si](C)(C)OC(=O)C(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C15H36O5Si4/c1-21(2,3)15(20-24(10,11)12,13(16)18-22(4,5)6)14(17)19-23(7,8)9/h1-12H3
InChIKeyAMTNTQJQBRWEDX-UHFFFAOYSA-N
XLogP4.21
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.79
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-trimethylsilyl-2-trimethylsilyloxypropanedioate?
The IUPAC name of bis(trimethylsilyl) 2-trimethylsilyl-2-trimethylsilyloxypropanedioate (CID 553155) is bis(trimethylsilyl) 2-trimethylsilyl-2-trimethylsilyloxypropanedioate.
What is the SMILES notation for bis(trimethylsilyl) 2-trimethylsilyl-2-trimethylsilyloxypropanedioate?
The canonical SMILES for bis(trimethylsilyl) 2-trimethylsilyl-2-trimethylsilyloxypropanedioate is C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) 2-trimethylsilyl-2-trimethylsilyloxypropanedioate?
The InChIKey is AMTNTQJQBRWEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H36O5Si4/c1-21(2,3)15(20-24(10,11)12,13(16)18-22(4,5)6)14(17)19-23(7,8)9/h1-12H3.
What are the key properties of bis(trimethylsilyl) 2-trimethylsilyl-2-trimethylsilyloxypropanedioate?
bis(trimethylsilyl) 2-trimethylsilyl-2-trimethylsilyloxypropanedioate has a molecular weight of 408.79 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) 2-trimethylsilyl-2-trimethylsilyloxypropanedioate is sourced from PubChem (CID 553155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).