bis(trimethylsilyl) 2,2-dimethylbutanedioate

C12H26O4Si2 — CID 521644

IUPACbis(trimethylsilyl) 2,2-dimethylbutanedioate
SMILESCC(C)(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C12H26O4Si2/c1-12(2,11(14)16-18(6,7)8)9-10(13)15-17(3,4)5/h9H2,1-8H3
InChIKeyKQLWYCDSDQLOOZ-UHFFFAOYSA-N
MW290.51 g/mol
LogP3.16
Rot. Bonds5

About bis(trimethylsilyl) 2,2-dimethylbutanedioate

bis(trimethylsilyl) 2,2-dimethylbutanedioate (PubChem CID 521644) has the molecular formula C12H26O4Si2 and a molecular weight of 290.51 g/mol. Its IUPAC name is bis(trimethylsilyl) 2,2-dimethylbutanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 2,2-dimethylbutanedioate
PubChem CID521644
Molecular FormulaC12H26O4Si2
Molecular Weight290.51 g/mol
Exact Mass290.14
IUPAC Namebis(trimethylsilyl) 2,2-dimethylbutanedioate
SMILESCC(C)(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C12H26O4Si2/c1-12(2,11(14)16-18(6,7)8)9-10(13)15-17(3,4)5/h9H2,1-8H3
InChIKeyKQLWYCDSDQLOOZ-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(trimethylsilyl) (2R)-2-methyl-2-trimethylsilyloxybutanedioate
CID 523329
bis(trimethylsilyl) 2-propan-2-yl-2-trimethylsilyloxybutanedioate
CID 91696892
trimethylsilyl 2,2-dimethyl-3-phenylpropanoate
CID 102019506
trimethylsilyl 2-methoxy-2-methylpropanoate
CID 88550853
trimethylsilyl 2-fluoroacetate
CID 123819311
trimethylsilyl 2-(propanoylamino)acetate
CID 521686
bis(trimethylsilyl) (Z)-oct-4-enedioate
CID 91753100
trimethylsilyl 2-ethoxy-2-phosphorosopropanoate
CID 174663193
bis(trimethylsilyl) 3-ethyl-2-methyl-3-trimethylsilyloxypentanedioate
CID 552440
bis(trimethylsilyl) 2,3-dihydroxy-2,3-di(propan-2-yl)butanedioate
CID 87375893
trimethylsilyl 2-methyl-2-(trimethylsilyloxymethyl)pentanoate
CID 91696638
trimethylsilyl 4-[bis(trimethylsilyl)amino]butanoate
CID 529208

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) 2,2-dimethylbutanedioate?
The IUPAC name of bis(trimethylsilyl) 2,2-dimethylbutanedioate (CID 521644) is bis(trimethylsilyl) 2,2-dimethylbutanedioate.
What is the SMILES notation for bis(trimethylsilyl) 2,2-dimethylbutanedioate?
The canonical SMILES for bis(trimethylsilyl) 2,2-dimethylbutanedioate is CC(C)(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) 2,2-dimethylbutanedioate?
The InChIKey is KQLWYCDSDQLOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4Si2/c1-12(2,11(14)16-18(6,7)8)9-10(13)15-17(3,4)5/h9H2,1-8H3.
What are the key properties of bis(trimethylsilyl) 2,2-dimethylbutanedioate?
bis(trimethylsilyl) 2,2-dimethylbutanedioate has a molecular weight of 290.51 g/mol, XLogP of 3.16, 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-dimethylbutanedioate is sourced from PubChem (CID 521644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).