bis[tert-butyl(dimethyl)silyl] butanedioate

C16H34O4Si2 — CID 528596

IUPACbis[tert-butyl(dimethyl)silyl] butanedioate
SMILESCC(C)(C)[Si](C)(C)OC(=O)CCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O4Si2/c1-15(2,3)21(7,8)19-13(17)11-12-14(18)20-22(9,10)16(4,5)6/h11-12H2,1-10H3
InChIKeyXQWHUDQRNDFVPG-UHFFFAOYSA-N
MW346.62 g/mol
LogP4.86
Rot. Bonds5

About bis[tert-butyl(dimethyl)silyl] butanedioate

bis[tert-butyl(dimethyl)silyl] butanedioate (PubChem CID 528596) has the molecular formula C16H34O4Si2 and a molecular weight of 346.62 g/mol. Its IUPAC name is bis[tert-butyl(dimethyl)silyl] butanedioate.

Molecular Properties

Compound Namebis[tert-butyl(dimethyl)silyl] butanedioate
PubChem CID528596
Molecular FormulaC16H34O4Si2
Molecular Weight346.62 g/mol
Exact Mass346.20
IUPAC Namebis[tert-butyl(dimethyl)silyl] butanedioate
SMILESCC(C)(C)[Si](C)(C)OC(=O)CCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O4Si2/c1-15(2,3)21(7,8)19-13(17)11-12-14(18)20-22(9,10)16(4,5)6/h11-12H2,1-10H3
InChIKeyXQWHUDQRNDFVPG-UHFFFAOYSA-N
XLogP4.86
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.62
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis[tert-butyl(dimethyl)silyl] butanedioate?
The IUPAC name of bis[tert-butyl(dimethyl)silyl] butanedioate (CID 528596) is bis[tert-butyl(dimethyl)silyl] butanedioate.
What is the SMILES notation for bis[tert-butyl(dimethyl)silyl] butanedioate?
The canonical SMILES for bis[tert-butyl(dimethyl)silyl] butanedioate is CC(C)(C)[Si](C)(C)OC(=O)CCC(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of bis[tert-butyl(dimethyl)silyl] butanedioate?
The InChIKey is XQWHUDQRNDFVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O4Si2/c1-15(2,3)21(7,8)19-13(17)11-12-14(18)20-22(9,10)16(4,5)6/h11-12H2,1-10H3.
What are the key properties of bis[tert-butyl(dimethyl)silyl] butanedioate?
bis[tert-butyl(dimethyl)silyl] butanedioate has a molecular weight of 346.62 g/mol, XLogP of 4.86, 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] butanedioate is sourced from PubChem (CID 528596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).