bis(trimethylsilyl) 2-ethyl-2-methylpropanedioate

C12H26O4Si2 — CID 589985

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

About bis(trimethylsilyl) 2-ethyl-2-methylpropanedioate

bis(trimethylsilyl) 2-ethyl-2-methylpropanedioate (PubChem CID 589985) has the molecular formula C12H26O4Si2 and a molecular weight of 290.51 g/mol. Its IUPAC name is bis(trimethylsilyl) 2-ethyl-2-methylpropanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 2-ethyl-2-methylpropanedioate
PubChem CID589985
Molecular FormulaC12H26O4Si2
Molecular Weight290.51 g/mol
Exact Mass290.14
IUPAC Namebis(trimethylsilyl) 2-ethyl-2-methylpropanedioate
SMILESCCC(C)(C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C12H26O4Si2/c1-9-12(2,10(13)15-17(3,4)5)11(14)16-18(6,7)8/h9H2,1-8H3
InChIKeyQDBKONIMVGKCJB-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': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Ethylmalonic acid, bis(trimethylsilyl) ester
CID 521657
3-Trimethylsilyloxyisovaleric acid,trimethylsilyl ester
CID 521571
Dimethylmalonic acid, bis(trimethylsilyl) ester
CID 521656
Butanoic acid, 2,2-dimethyl-3-[(trimethylsilyl)oxy]-, trimethylsilyl ester
CID 528636
Bis[tert-butyl(dimethyl)silyl] 2-ethylmalonate
CID 553064
Diethylmalonic acid, bis(trimethylsilyl)-ester
CID 553066
Methyltrimethylsilyl ethylmalonate
CID 552626
Pentane-2,2-dicarboxylic acid, bis(trimethylsilyl) ester
CID 589986
Trimethylsilyl 2-methyl-2-{[(trimethylsilyl)oxy]methyl}butanoate
CID 91696632
[Dimethyl(trimethylsilyloxy)silyl] 2,2-dimethylbutanoate
CID 140779882
2,2-Dimethyl-3-trimethylsilyl-3-trimethylsilyloxybutanoate
CID 22212037

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) 2-ethyl-2-methylpropanedioate?
The IUPAC name of bis(trimethylsilyl) 2-ethyl-2-methylpropanedioate (CID 589985) is bis(trimethylsilyl) 2-ethyl-2-methylpropanedioate.
What is the SMILES notation for bis(trimethylsilyl) 2-ethyl-2-methylpropanedioate?
The canonical SMILES for bis(trimethylsilyl) 2-ethyl-2-methylpropanedioate is CCC(C)(C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) 2-ethyl-2-methylpropanedioate?
The InChIKey is QDBKONIMVGKCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4Si2/c1-9-12(2,10(13)15-17(3,4)5)11(14)16-18(6,7)8/h9H2,1-8H3.
What are the key properties of bis(trimethylsilyl) 2-ethyl-2-methylpropanedioate?
bis(trimethylsilyl) 2-ethyl-2-methylpropanedioate 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-ethyl-2-methylpropanedioate is sourced from PubChem (CID 589985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).