bis(trimethylsilyl) tetradecanedioate

C20H42O4Si2 — CID 523706

IUPACbis(trimethylsilyl) tetradecanedioate
SMILESC[Si](C)(C)OC(=O)CCCCCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C20H42O4Si2/c1-25(2,3)23-19(21)17-15-13-11-9-7-8-10-12-14-16-18-20(22)24-26(4,5)6/h7-18H2,1-6H3
InChIKeyOCCHGMDNQHGUHB-UHFFFAOYSA-N
MW402.72 g/mol
LogP6.42
Rot. Bonds15

About bis(trimethylsilyl) tetradecanedioate

bis(trimethylsilyl) tetradecanedioate (PubChem CID 523706) has the molecular formula C20H42O4Si2 and a molecular weight of 402.72 g/mol. Its IUPAC name is bis(trimethylsilyl) tetradecanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) tetradecanedioate
PubChem CID523706
Molecular FormulaC20H42O4Si2
Molecular Weight402.72 g/mol
Exact Mass402.26
IUPAC Namebis(trimethylsilyl) tetradecanedioate
SMILESC[Si](C)(C)OC(=O)CCCCCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C20H42O4Si2/c1-25(2,3)23-19(21)17-15-13-11-9-7-8-10-12-14-16-18-20(22)24-26(4,5)6/h7-18H2,1-6H3
InChIKeyOCCHGMDNQHGUHB-UHFFFAOYSA-N
XLogP6.42
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.72
LogP ≤ 56.42
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) tetradecanedioate?
The IUPAC name of bis(trimethylsilyl) tetradecanedioate (CID 523706) is bis(trimethylsilyl) tetradecanedioate.
What is the SMILES notation for bis(trimethylsilyl) tetradecanedioate?
The canonical SMILES for bis(trimethylsilyl) tetradecanedioate is C[Si](C)(C)OC(=O)CCCCCCCCCCCCC(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) tetradecanedioate?
The InChIKey is OCCHGMDNQHGUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O4Si2/c1-25(2,3)23-19(21)17-15-13-11-9-7-8-10-12-14-16-18-20(22)24-26(4,5)6/h7-18H2,1-6H3.
What are the key properties of bis(trimethylsilyl) tetradecanedioate?
bis(trimethylsilyl) tetradecanedioate has a molecular weight of 402.72 g/mol, XLogP of 6.42, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) tetradecanedioate is sourced from PubChem (CID 523706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).