bis(trimethylsilyl) decanedioate

C16H34O4Si2 — CID 519558

IUPACbis(trimethylsilyl) decanedioate
SMILESC[Si](C)(C)OC(=O)CCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C16H34O4Si2/c1-21(2,3)19-15(17)13-11-9-7-8-10-12-14-16(18)20-22(4,5)6/h7-14H2,1-6H3
InChIKeyBDACUOPQFMCPLO-UHFFFAOYSA-N
MW346.62 g/mol
LogP4.86
Rot. Bonds11

About bis(trimethylsilyl) decanedioate

bis(trimethylsilyl) decanedioate (PubChem CID 519558) has the molecular formula C16H34O4Si2 and a molecular weight of 346.62 g/mol. Its IUPAC name is bis(trimethylsilyl) decanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) decanedioate
PubChem CID519558
Molecular FormulaC16H34O4Si2
Molecular Weight346.62 g/mol
Exact Mass346.20
IUPAC Namebis(trimethylsilyl) decanedioate
SMILESC[Si](C)(C)OC(=O)CCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C16H34O4Si2/c1-21(2,3)19-15(17)13-11-9-7-8-10-12-14-16(18)20-22(4,5)6/h7-14H2,1-6H3
InChIKeyBDACUOPQFMCPLO-UHFFFAOYSA-N
XLogP4.86
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
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': '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) decanedioate?
The IUPAC name of bis(trimethylsilyl) decanedioate (CID 519558) is bis(trimethylsilyl) decanedioate.
What is the SMILES notation for bis(trimethylsilyl) decanedioate?
The canonical SMILES for bis(trimethylsilyl) decanedioate is C[Si](C)(C)OC(=O)CCCCCCCCC(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) decanedioate?
The InChIKey is BDACUOPQFMCPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O4Si2/c1-21(2,3)19-15(17)13-11-9-7-8-10-12-14-16(18)20-22(4,5)6/h7-14H2,1-6H3.
What are the key properties of bis(trimethylsilyl) decanedioate?
bis(trimethylsilyl) decanedioate has a molecular weight of 346.62 g/mol, XLogP of 4.86, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) decanedioate is sourced from PubChem (CID 519558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).