bis(trimethylsilyl) 2,2,3,3-tetradeuteriobutanedioate

C10H22O4Si2 — CID 91749919

IUPACbis(trimethylsilyl) 2,2,3,3-tetradeuteriobutanedioate
SMILES[2H]C([2H])(C(=O)O[Si](C)(C)C)C([2H])([2H])C(=O)O[Si](C)(C)C
InChIInChI=1S/C10H22O4Si2/c1-15(2,3)13-9(11)7-8-10(12)14-16(4,5)6/h7-8H2,1-6H3/i7D2,8D2
InChIKeyQUUDZINXVRFXLB-OSEHSPPNSA-N
MW266.48 g/mol
LogP2.52
Rot. Bonds5

About bis(trimethylsilyl) 2,2,3,3-tetradeuteriobutanedioate

bis(trimethylsilyl) 2,2,3,3-tetradeuteriobutanedioate (PubChem CID 91749919) has the molecular formula C10H22O4Si2 and a molecular weight of 266.48 g/mol. Its IUPAC name is bis(trimethylsilyl) 2,2,3,3-tetradeuteriobutanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 2,2,3,3-tetradeuteriobutanedioate
PubChem CID91749919
Molecular FormulaC10H22O4Si2
Molecular Weight266.48 g/mol
Exact Mass266.13
IUPAC Namebis(trimethylsilyl) 2,2,3,3-tetradeuteriobutanedioate
SMILES[2H]C([2H])(C(=O)O[Si](C)(C)C)C([2H])([2H])C(=O)O[Si](C)(C)C
InChIInChI=1S/C10H22O4Si2/c1-15(2,3)13-9(11)7-8-10(12)14-16(4,5)6/h7-8H2,1-6H3/i7D2,8D2
InChIKeyQUUDZINXVRFXLB-OSEHSPPNSA-N
XLogP2.52
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.48
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze bis(trimethylsilyl) 2,2,3,3-tetradeuteriobutanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) 2,2,3,3-tetradeuteriobutanedioate?
The IUPAC name of bis(trimethylsilyl) 2,2,3,3-tetradeuteriobutanedioate (CID 91749919) is bis(trimethylsilyl) 2,2,3,3-tetradeuteriobutanedioate.
What is the SMILES notation for bis(trimethylsilyl) 2,2,3,3-tetradeuteriobutanedioate?
The canonical SMILES for bis(trimethylsilyl) 2,2,3,3-tetradeuteriobutanedioate is [2H]C([2H])(C(=O)O[Si](C)(C)C)C([2H])([2H])C(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) 2,2,3,3-tetradeuteriobutanedioate?
The InChIKey is QUUDZINXVRFXLB-OSEHSPPNSA-N. The full InChI is InChI=1S/C10H22O4Si2/c1-15(2,3)13-9(11)7-8-10(12)14-16(4,5)6/h7-8H2,1-6H3/i7D2,8D2.
What are the key properties of bis(trimethylsilyl) 2,2,3,3-tetradeuteriobutanedioate?
bis(trimethylsilyl) 2,2,3,3-tetradeuteriobutanedioate has a molecular weight of 266.48 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) 2,2,3,3-tetradeuteriobutanedioate is sourced from PubChem (CID 91749919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).