bis[tert-butyl(dimethyl)silyl] 2-ethylpropanedioate

C17H36O4Si2 — CID 553064

IUPACbis[tert-butyl(dimethyl)silyl] 2-ethylpropanedioate
SMILESCCC(C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O4Si2/c1-12-13(14(18)20-22(8,9)16(2,3)4)15(19)21-23(10,11)17(5,6)7/h13H,12H2,1-11H3
InChIKeyKAWVBOVEDIKUOT-UHFFFAOYSA-N
MW360.64 g/mol
LogP5.11
Rot. Bonds5

About bis[tert-butyl(dimethyl)silyl] 2-ethylpropanedioate

bis[tert-butyl(dimethyl)silyl] 2-ethylpropanedioate (PubChem CID 553064) has the molecular formula C17H36O4Si2 and a molecular weight of 360.64 g/mol. Its IUPAC name is bis[tert-butyl(dimethyl)silyl] 2-ethylpropanedioate.

Molecular Properties

Compound Namebis[tert-butyl(dimethyl)silyl] 2-ethylpropanedioate
PubChem CID553064
Molecular FormulaC17H36O4Si2
Molecular Weight360.64 g/mol
Exact Mass360.22
IUPAC Namebis[tert-butyl(dimethyl)silyl] 2-ethylpropanedioate
SMILESCCC(C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O4Si2/c1-12-13(14(18)20-22(8,9)16(2,3)4)15(19)21-23(10,11)17(5,6)7/h13H,12H2,1-11H3
InChIKeyKAWVBOVEDIKUOT-UHFFFAOYSA-N
XLogP5.11
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.64
LogP ≤ 55.11
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

Methylmalonic acid (tms)
CID 520992
Ethylmalonic acid, bis(trimethylsilyl) ester
CID 521657
Propanedioic acid, bis(tert-butyldimethylsilyl) ester
CID 528582
Bis[tert-butyl(dimethyl)silyl] 2-methylmalonate
CID 553136
Propanedioic acid, dimethyl-, bis(tert-butyldimethylsilyl) ester
CID 553139
3-Hydroxyisovaleric acid, diTBDMS
CID 6430556
Bis(triethylsilyl) propanedioate
CID 140052407
2-Methyl-3-hydroxybutyric acid, diTBDMS
CID 91747827
Methyltrimethylsilyl ethylmalonate
CID 552626
1,1,2-Propanetricarboxylic acid, tris(trimethylsilyl) ester
CID 553637
Ethylmethylmalonic acid, bis(trimethylsilyl) ester
CID 589985
Tris(trimethylsilyloxy)silyl 2-methylbutanoate
CID 54056564

Frequently Asked Questions

What is the IUPAC name of bis[tert-butyl(dimethyl)silyl] 2-ethylpropanedioate?
The IUPAC name of bis[tert-butyl(dimethyl)silyl] 2-ethylpropanedioate (CID 553064) is bis[tert-butyl(dimethyl)silyl] 2-ethylpropanedioate.
What is the SMILES notation for bis[tert-butyl(dimethyl)silyl] 2-ethylpropanedioate?
The canonical SMILES for bis[tert-butyl(dimethyl)silyl] 2-ethylpropanedioate is CCC(C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of bis[tert-butyl(dimethyl)silyl] 2-ethylpropanedioate?
The InChIKey is KAWVBOVEDIKUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O4Si2/c1-12-13(14(18)20-22(8,9)16(2,3)4)15(19)21-23(10,11)17(5,6)7/h13H,12H2,1-11H3.
What are the key properties of bis[tert-butyl(dimethyl)silyl] 2-ethylpropanedioate?
bis[tert-butyl(dimethyl)silyl] 2-ethylpropanedioate has a molecular weight of 360.64 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[tert-butyl(dimethyl)silyl] 2-ethylpropanedioate is sourced from PubChem (CID 553064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).