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

C16H34O4Si2 — CID 553136

IUPACbis[tert-butyl(dimethyl)silyl] 2-methylpropanedioate
SMILESCC(C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O4Si2/c1-12(13(17)19-21(8,9)15(2,3)4)14(18)20-22(10,11)16(5,6)7/h12H,1-11H3
InChIKeyXSEWCMKKCMQVOE-UHFFFAOYSA-N
MW346.62 g/mol
LogP4.72
Rot. Bonds4

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

bis[tert-butyl(dimethyl)silyl] 2-methylpropanedioate (PubChem CID 553136) has the molecular formula C16H34O4Si2 and a molecular weight of 346.62 g/mol. Its IUPAC name is bis[tert-butyl(dimethyl)silyl] 2-methylpropanedioate.

Molecular Properties

Compound Namebis[tert-butyl(dimethyl)silyl] 2-methylpropanedioate
PubChem CID553136
Molecular FormulaC16H34O4Si2
Molecular Weight346.62 g/mol
Exact Mass346.20
IUPAC Namebis[tert-butyl(dimethyl)silyl] 2-methylpropanedioate
SMILESCC(C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O4Si2/c1-12(13(17)19-21(8,9)15(2,3)4)14(18)20-22(10,11)16(5,6)7/h12H,1-11H3
InChIKeyXSEWCMKKCMQVOE-UHFFFAOYSA-N
XLogP4.72
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.62
LogP ≤ 54.72
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

Bis(trimethylsilyl) malonate
CID 87656
Methylmalonic acid (tms)
CID 520992
Ethylmalonic acid, bis(trimethylsilyl) ester
CID 521657
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
Propanedioic acid, dimethyl-, bis(tert-butyldimethylsilyl) ester
CID 553139
Bis(triethylsilyl) propanedioate
CID 140052407
1,3-Bis-[di-(ethoxycarbonyl)-ethyl]-tetramethyldisiloxane
CID 129808152
Propanoic acid, 3-[(tert-butyldimethylsilyl)oxy]-2-methyl-, tert-butyldimethylsilyl ester
CID 553024
Propanedioic acid, (trimethylsilyl)-, bis(trimethylsilyl) ester
CID 553142

Frequently Asked Questions

What is the IUPAC name of bis[tert-butyl(dimethyl)silyl] 2-methylpropanedioate?
The IUPAC name of bis[tert-butyl(dimethyl)silyl] 2-methylpropanedioate (CID 553136) is bis[tert-butyl(dimethyl)silyl] 2-methylpropanedioate.
What is the SMILES notation for bis[tert-butyl(dimethyl)silyl] 2-methylpropanedioate?
The canonical SMILES for bis[tert-butyl(dimethyl)silyl] 2-methylpropanedioate is CC(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-methylpropanedioate?
The InChIKey is XSEWCMKKCMQVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O4Si2/c1-12(13(17)19-21(8,9)15(2,3)4)14(18)20-22(10,11)16(5,6)7/h12H,1-11H3.
What are the key properties of bis[tert-butyl(dimethyl)silyl] 2-methylpropanedioate?
bis[tert-butyl(dimethyl)silyl] 2-methylpropanedioate has a molecular weight of 346.62 g/mol, XLogP of 4.72, 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-methylpropanedioate is sourced from PubChem (CID 553136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).