bis(trimethylsilyl) octanedioate

C14H30O4Si2 — CID 521138

IUPACbis(trimethylsilyl) octanedioate
SMILESC[Si](C)(C)OC(=O)CCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C14H30O4Si2/c1-19(2,3)17-13(15)11-9-7-8-10-12-14(16)18-20(4,5)6/h7-12H2,1-6H3
InChIKeyLWDVKORSFQXPHL-UHFFFAOYSA-N
MW318.56 g/mol
LogP4.08
Rot. Bonds9

About bis(trimethylsilyl) octanedioate

bis(trimethylsilyl) octanedioate (PubChem CID 521138) has the molecular formula C14H30O4Si2 and a molecular weight of 318.56 g/mol. Its IUPAC name is bis(trimethylsilyl) octanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) octanedioate
PubChem CID521138
Molecular FormulaC14H30O4Si2
Molecular Weight318.56 g/mol
Exact Mass318.17
IUPAC Namebis(trimethylsilyl) octanedioate
SMILESC[Si](C)(C)OC(=O)CCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C14H30O4Si2/c1-19(2,3)17-13(15)11-9-7-8-10-12-14(16)18-20(4,5)6/h7-12H2,1-6H3
InChIKeyLWDVKORSFQXPHL-UHFFFAOYSA-N
XLogP4.08
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.56
LogP ≤ 54.08
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) octanedioate?
The IUPAC name of bis(trimethylsilyl) octanedioate (CID 521138) is bis(trimethylsilyl) octanedioate.
What is the SMILES notation for bis(trimethylsilyl) octanedioate?
The canonical SMILES for bis(trimethylsilyl) octanedioate is C[Si](C)(C)OC(=O)CCCCCCC(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) octanedioate?
The InChIKey is LWDVKORSFQXPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O4Si2/c1-19(2,3)17-13(15)11-9-7-8-10-12-14(16)18-20(4,5)6/h7-12H2,1-6H3.
What are the key properties of bis(trimethylsilyl) octanedioate?
bis(trimethylsilyl) octanedioate has a molecular weight of 318.56 g/mol, XLogP of 4.08, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) octanedioate is sourced from PubChem (CID 521138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).