bis[tert-butyl(dimethyl)silyl] 2,2-dimethylpropanedioate

C17H36O4Si2 — CID 553139

IUPACbis[tert-butyl(dimethyl)silyl] 2,2-dimethylpropanedioate
SMILESCC(C)(C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O4Si2/c1-15(2,3)22(9,10)20-13(18)17(7,8)14(19)21-23(11,12)16(4,5)6/h1-12H3
InChIKeyZBYZHGVYKOKRAB-UHFFFAOYSA-N
MW360.64 g/mol
LogP5.11
Rot. Bonds4

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

bis[tert-butyl(dimethyl)silyl] 2,2-dimethylpropanedioate (PubChem CID 553139) has the molecular formula C17H36O4Si2 and a molecular weight of 360.64 g/mol. Its IUPAC name is bis[tert-butyl(dimethyl)silyl] 2,2-dimethylpropanedioate.

Molecular Properties

Compound Namebis[tert-butyl(dimethyl)silyl] 2,2-dimethylpropanedioate
PubChem CID553139
Molecular FormulaC17H36O4Si2
Molecular Weight360.64 g/mol
Exact Mass360.22
IUPAC Namebis[tert-butyl(dimethyl)silyl] 2,2-dimethylpropanedioate
SMILESCC(C)(C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O4Si2/c1-15(2,3)22(9,10)20-13(18)17(7,8)14(19)21-23(11,12)16(4,5)6/h1-12H3
InChIKeyZBYZHGVYKOKRAB-UHFFFAOYSA-N
XLogP5.11
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
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'}

Analyze bis[tert-butyl(dimethyl)silyl] 2,2-dimethylpropanedioate with MolForge

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

Launch Full Analysis

Related Compounds

Bis(trimethylsilyl) malonate
CID 87656
Methylmalonic acid (tms)
CID 520992
Dimethylmalonic acid, bis(trimethylsilyl) ester
CID 521656
Propanedioic acid, bis(tert-butyldimethylsilyl) ester
CID 528582
1-O-fluoro 3-O-trimethylsilyl 2-methyl-2-trimethylsilylpropanedioate
CID 173853517
Bis[tert-butyl(dimethyl)silyl] 2-ethylmalonate
CID 553064
Bis[tert-butyl(dimethyl)silyl] 2-methylmalonate
CID 553136
Bis(triethylsilyl) propanedioate
CID 140052407
2,2-Bis(trimethylsilyloxymethyl)trimethylsilyl propionate
CID 552752
Propanoic acid, 3-[(tert-butyldimethylsilyl)oxy]-2-methyl-, tert-butyldimethylsilyl ester
CID 553024
Propanedioic acid, (trimethylsilyl)-, bis(trimethylsilyl) ester
CID 553142
2-{[3-(2,2-Dicarboxypropyl)-1,1,3,3-tetramethyldisiloxanyl]methyl}-2-methylmalonic acid
CID 4077744

Frequently Asked Questions

What is the IUPAC name of bis[tert-butyl(dimethyl)silyl] 2,2-dimethylpropanedioate?
The IUPAC name of bis[tert-butyl(dimethyl)silyl] 2,2-dimethylpropanedioate (CID 553139) is bis[tert-butyl(dimethyl)silyl] 2,2-dimethylpropanedioate.
What is the SMILES notation for bis[tert-butyl(dimethyl)silyl] 2,2-dimethylpropanedioate?
The canonical SMILES for bis[tert-butyl(dimethyl)silyl] 2,2-dimethylpropanedioate is CC(C)(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] 2,2-dimethylpropanedioate?
The InChIKey is ZBYZHGVYKOKRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O4Si2/c1-15(2,3)22(9,10)20-13(18)17(7,8)14(19)21-23(11,12)16(4,5)6/h1-12H3.
What are the key properties of bis[tert-butyl(dimethyl)silyl] 2,2-dimethylpropanedioate?
bis[tert-butyl(dimethyl)silyl] 2,2-dimethylpropanedioate has a molecular weight of 360.64 g/mol, XLogP of 5.11, 4 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] 2,2-dimethylpropanedioate is sourced from PubChem (CID 553139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).