methyl 22-trimethylsilyloxydocosanoate

C26H54O3Si — CID 554384

IUPACmethyl 22-trimethylsilyloxydocosanoate
SMILESCOC(=O)CCCCCCCCCCCCCCCCCCCCCO[Si](C)(C)C
InChIInChI=1S/C26H54O3Si/c1-28-26(27)24-22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-25-29-30(2,3)4/h5-25H2,1-4H3
InChIKeyNEKJDRGEYVXLHW-UHFFFAOYSA-N
MW442.80 g/mol
LogP8.81
Rot. Bonds23

About methyl 22-trimethylsilyloxydocosanoate

methyl 22-trimethylsilyloxydocosanoate (PubChem CID 554384) has the molecular formula C26H54O3Si and a molecular weight of 442.80 g/mol. Its IUPAC name is methyl 22-trimethylsilyloxydocosanoate.

Molecular Properties

Compound Namemethyl 22-trimethylsilyloxydocosanoate
PubChem CID554384
Molecular FormulaC26H54O3Si
Molecular Weight442.80 g/mol
Exact Mass442.38
IUPAC Namemethyl 22-trimethylsilyloxydocosanoate
SMILESCOC(=O)CCCCCCCCCCCCCCCCCCCCCO[Si](C)(C)C
InChIInChI=1S/C26H54O3Si/c1-28-26(27)24-22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-25-29-30(2,3)4/h5-25H2,1-4H3
InChIKeyNEKJDRGEYVXLHW-UHFFFAOYSA-N
XLogP8.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.80
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 methyl 22-trimethylsilyloxydocosanoate?
The IUPAC name of methyl 22-trimethylsilyloxydocosanoate (CID 554384) is methyl 22-trimethylsilyloxydocosanoate.
What is the SMILES notation for methyl 22-trimethylsilyloxydocosanoate?
The canonical SMILES for methyl 22-trimethylsilyloxydocosanoate is COC(=O)CCCCCCCCCCCCCCCCCCCCCO[Si](C)(C)C.
What is the InChIKey of methyl 22-trimethylsilyloxydocosanoate?
The InChIKey is NEKJDRGEYVXLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54O3Si/c1-28-26(27)24-22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-25-29-30(2,3)4/h5-25H2,1-4H3.
What are the key properties of methyl 22-trimethylsilyloxydocosanoate?
methyl 22-trimethylsilyloxydocosanoate has a molecular weight of 442.80 g/mol, XLogP of 8.81, 23 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 22-trimethylsilyloxydocosanoate is sourced from PubChem (CID 554384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).