bis(trimethylsilyl) undecanedioate

C17H36O4Si2 — CID 552527

IUPACbis(trimethylsilyl) undecanedioate
SMILESC[Si](C)(C)OC(=O)CCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C17H36O4Si2/c1-22(2,3)20-16(18)14-12-10-8-7-9-11-13-15-17(19)21-23(4,5)6/h7-15H2,1-6H3
InChIKeyWANRKRMIBVTYBU-UHFFFAOYSA-N
MW360.64 g/mol
LogP5.25
Rot. Bonds12

About bis(trimethylsilyl) undecanedioate

bis(trimethylsilyl) undecanedioate (PubChem CID 552527) has the molecular formula C17H36O4Si2 and a molecular weight of 360.64 g/mol. Its IUPAC name is bis(trimethylsilyl) undecanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) undecanedioate
PubChem CID552527
Molecular FormulaC17H36O4Si2
Molecular Weight360.64 g/mol
Exact Mass360.22
IUPAC Namebis(trimethylsilyl) undecanedioate
SMILESC[Si](C)(C)OC(=O)CCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C17H36O4Si2/c1-22(2,3)20-16(18)14-12-10-8-7-9-11-13-15-17(19)21-23(4,5)6/h7-15H2,1-6H3
InChIKeyWANRKRMIBVTYBU-UHFFFAOYSA-N
XLogP5.25
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.64
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) undecanedioate?
The IUPAC name of bis(trimethylsilyl) undecanedioate (CID 552527) is bis(trimethylsilyl) undecanedioate.
What is the SMILES notation for bis(trimethylsilyl) undecanedioate?
The canonical SMILES for bis(trimethylsilyl) undecanedioate is C[Si](C)(C)OC(=O)CCCCCCCCCC(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) undecanedioate?
The InChIKey is WANRKRMIBVTYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O4Si2/c1-22(2,3)20-16(18)14-12-10-8-7-9-11-13-15-17(19)21-23(4,5)6/h7-15H2,1-6H3.
What are the key properties of bis(trimethylsilyl) undecanedioate?
bis(trimethylsilyl) undecanedioate has a molecular weight of 360.64 g/mol, XLogP of 5.25, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) undecanedioate is sourced from PubChem (CID 552527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).