methyl 2-trimethylsilyloxydocosanoate

C26H54O3Si — CID 524465

IUPACmethyl 2-trimethylsilyloxydocosanoate
SMILESCCCCCCCCCCCCCCCCCCCCC(O[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C26H54O3Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26(27)28-2)29-30(3,4)5/h25H,6-24H2,1-5H3
InChIKeyQSSVMTKWPPSPAQ-UHFFFAOYSA-N
MW442.80 g/mol
LogP8.81
Rot. Bonds22

About methyl 2-trimethylsilyloxydocosanoate

methyl 2-trimethylsilyloxydocosanoate (PubChem CID 524465) has the molecular formula C26H54O3Si and a molecular weight of 442.80 g/mol. Its IUPAC name is methyl 2-trimethylsilyloxydocosanoate.

Molecular Properties

Compound Namemethyl 2-trimethylsilyloxydocosanoate
PubChem CID524465
Molecular FormulaC26H54O3Si
Molecular Weight442.80 g/mol
Exact Mass442.38
IUPAC Namemethyl 2-trimethylsilyloxydocosanoate
SMILESCCCCCCCCCCCCCCCCCCCCC(O[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C26H54O3Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26(27)28-2)29-30(3,4)5/h25H,6-24H2,1-5H3
InChIKeyQSSVMTKWPPSPAQ-UHFFFAOYSA-N
XLogP8.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds22
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 2-trimethylsilyloxydocosanoate?
The IUPAC name of methyl 2-trimethylsilyloxydocosanoate (CID 524465) is methyl 2-trimethylsilyloxydocosanoate.
What is the SMILES notation for methyl 2-trimethylsilyloxydocosanoate?
The canonical SMILES for methyl 2-trimethylsilyloxydocosanoate is CCCCCCCCCCCCCCCCCCCCC(O[Si](C)(C)C)C(=O)OC.
What is the InChIKey of methyl 2-trimethylsilyloxydocosanoate?
The InChIKey is QSSVMTKWPPSPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54O3Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26(27)28-2)29-30(3,4)5/h25H,6-24H2,1-5H3.
What are the key properties of methyl 2-trimethylsilyloxydocosanoate?
methyl 2-trimethylsilyloxydocosanoate has a molecular weight of 442.80 g/mol, XLogP of 8.81, 22 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-trimethylsilyloxydocosanoate is sourced from PubChem (CID 524465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).