bis(trimethylsilyl) 4-oxoheptanedioate

C13H26O5Si2 — CID 553262

IUPACbis(trimethylsilyl) 4-oxoheptanedioate
SMILESC[Si](C)(C)OC(=O)CCC(=O)CCC(=O)O[Si](C)(C)C
InChIInChI=1S/C13H26O5Si2/c1-19(2,3)17-12(15)9-7-11(14)8-10-13(16)18-20(4,5)6/h7-10H2,1-6H3
InChIKeyMZFMODRLLGAUML-UHFFFAOYSA-N
MW318.52 g/mol
LogP2.87
Rot. Bonds8

About bis(trimethylsilyl) 4-oxoheptanedioate

bis(trimethylsilyl) 4-oxoheptanedioate (PubChem CID 553262) has the molecular formula C13H26O5Si2 and a molecular weight of 318.52 g/mol. Its IUPAC name is bis(trimethylsilyl) 4-oxoheptanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 4-oxoheptanedioate
PubChem CID553262
Molecular FormulaC13H26O5Si2
Molecular Weight318.52 g/mol
Exact Mass318.13
IUPAC Namebis(trimethylsilyl) 4-oxoheptanedioate
SMILESC[Si](C)(C)OC(=O)CCC(=O)CCC(=O)O[Si](C)(C)C
InChIInChI=1S/C13H26O5Si2/c1-19(2,3)17-12(15)9-7-11(14)8-10-13(16)18-20(4,5)6/h7-10H2,1-6H3
InChIKeyMZFMODRLLGAUML-UHFFFAOYSA-N
XLogP2.87
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.52
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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(trimethylsilyl) 4-oxoheptanedioate?
The IUPAC name of bis(trimethylsilyl) 4-oxoheptanedioate (CID 553262) is bis(trimethylsilyl) 4-oxoheptanedioate.
What is the SMILES notation for bis(trimethylsilyl) 4-oxoheptanedioate?
The canonical SMILES for bis(trimethylsilyl) 4-oxoheptanedioate is C[Si](C)(C)OC(=O)CCC(=O)CCC(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) 4-oxoheptanedioate?
The InChIKey is MZFMODRLLGAUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O5Si2/c1-19(2,3)17-12(15)9-7-11(14)8-10-13(16)18-20(4,5)6/h7-10H2,1-6H3.
What are the key properties of bis(trimethylsilyl) 4-oxoheptanedioate?
bis(trimethylsilyl) 4-oxoheptanedioate has a molecular weight of 318.52 g/mol, XLogP of 2.87, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) 4-oxoheptanedioate is sourced from PubChem (CID 553262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).