bis(trimethylsilyl) 2,3-dimethylbutanedioate

C12H26O4Si2 — CID 521659

IUPACbis(trimethylsilyl) 2,3-dimethylbutanedioate
SMILESCC(C(=O)O[Si](C)(C)C)C(C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C12H26O4Si2/c1-9(11(13)15-17(3,4)5)10(2)12(14)16-18(6,7)8/h9-10H,1-8H3
InChIKeyLBUHCVHPJFFRSD-UHFFFAOYSA-N
MW290.51 g/mol
LogP3.01
Rot. Bonds5

About bis(trimethylsilyl) 2,3-dimethylbutanedioate

bis(trimethylsilyl) 2,3-dimethylbutanedioate (PubChem CID 521659) has the molecular formula C12H26O4Si2 and a molecular weight of 290.51 g/mol. Its IUPAC name is bis(trimethylsilyl) 2,3-dimethylbutanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 2,3-dimethylbutanedioate
PubChem CID521659
Molecular FormulaC12H26O4Si2
Molecular Weight290.51 g/mol
Exact Mass290.14
IUPAC Namebis(trimethylsilyl) 2,3-dimethylbutanedioate
SMILESCC(C(=O)O[Si](C)(C)C)C(C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C12H26O4Si2/c1-9(11(13)15-17(3,4)5)10(2)12(14)16-18(6,7)8/h9-10H,1-8H3
InChIKeyLBUHCVHPJFFRSD-UHFFFAOYSA-N
XLogP3.01
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.51
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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) 2,3-dimethylbutanedioate?
The IUPAC name of bis(trimethylsilyl) 2,3-dimethylbutanedioate (CID 521659) is bis(trimethylsilyl) 2,3-dimethylbutanedioate.
What is the SMILES notation for bis(trimethylsilyl) 2,3-dimethylbutanedioate?
The canonical SMILES for bis(trimethylsilyl) 2,3-dimethylbutanedioate is CC(C(=O)O[Si](C)(C)C)C(C)C(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) 2,3-dimethylbutanedioate?
The InChIKey is LBUHCVHPJFFRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4Si2/c1-9(11(13)15-17(3,4)5)10(2)12(14)16-18(6,7)8/h9-10H,1-8H3.
What are the key properties of bis(trimethylsilyl) 2,3-dimethylbutanedioate?
bis(trimethylsilyl) 2,3-dimethylbutanedioate has a molecular weight of 290.51 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) 2,3-dimethylbutanedioate is sourced from PubChem (CID 521659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).