bis(trimethylsilyl) 2-trimethylsilyloxybutanedioate

C13H30O5Si3 — CID 522155

IUPACbis(trimethylsilyl) 2-trimethylsilyloxybutanedioate
SMILESC[Si](C)(C)OC(=O)CC(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C13H30O5Si3/c1-19(2,3)16-11(13(15)18-21(7,8)9)10-12(14)17-20(4,5)6/h11H,10H2,1-9H3
InChIKeyQCOBWZRPFJZHGU-UHFFFAOYSA-N
MW350.64 g/mol
LogP3.35
Rot. Bonds7

About bis(trimethylsilyl) 2-trimethylsilyloxybutanedioate

bis(trimethylsilyl) 2-trimethylsilyloxybutanedioate (PubChem CID 522155) has the molecular formula C13H30O5Si3 and a molecular weight of 350.64 g/mol. Its IUPAC name is bis(trimethylsilyl) 2-trimethylsilyloxybutanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 2-trimethylsilyloxybutanedioate
PubChem CID522155
Molecular FormulaC13H30O5Si3
Molecular Weight350.64 g/mol
Exact Mass350.14
IUPAC Namebis(trimethylsilyl) 2-trimethylsilyloxybutanedioate
SMILESC[Si](C)(C)OC(=O)CC(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C13H30O5Si3/c1-19(2,3)16-11(13(15)18-21(7,8)9)10-12(14)17-20(4,5)6/h11H,10H2,1-9H3
InChIKeyQCOBWZRPFJZHGU-UHFFFAOYSA-N
XLogP3.35
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.64
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) 2-trimethylsilyloxybutanedioate?
The IUPAC name of bis(trimethylsilyl) 2-trimethylsilyloxybutanedioate (CID 522155) is bis(trimethylsilyl) 2-trimethylsilyloxybutanedioate.
What is the SMILES notation for bis(trimethylsilyl) 2-trimethylsilyloxybutanedioate?
The canonical SMILES for bis(trimethylsilyl) 2-trimethylsilyloxybutanedioate is C[Si](C)(C)OC(=O)CC(O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) 2-trimethylsilyloxybutanedioate?
The InChIKey is QCOBWZRPFJZHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30O5Si3/c1-19(2,3)16-11(13(15)18-21(7,8)9)10-12(14)17-20(4,5)6/h11H,10H2,1-9H3.
What are the key properties of bis(trimethylsilyl) 2-trimethylsilyloxybutanedioate?
bis(trimethylsilyl) 2-trimethylsilyloxybutanedioate has a molecular weight of 350.64 g/mol, XLogP of 3.35, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) 2-trimethylsilyloxybutanedioate is sourced from PubChem (CID 522155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).