trimethylsilyl 16-trimethylsilyloxyhexadecanoate

C22H48O3Si2 — CID 13295625

IUPACtrimethylsilyl 16-trimethylsilyloxyhexadecanoate
SMILESC[Si](C)(C)OCCCCCCCCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C22H48O3Si2/c1-26(2,3)24-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22(23)25-27(4,5)6/h7-21H2,1-6H3
InChIKeyJXIYCGGDBJPJJT-UHFFFAOYSA-N
MW416.80 g/mol
LogP7.68
Rot. Bonds18

About trimethylsilyl 16-trimethylsilyloxyhexadecanoate

trimethylsilyl 16-trimethylsilyloxyhexadecanoate (PubChem CID 13295625) has the molecular formula C22H48O3Si2 and a molecular weight of 416.80 g/mol. Its IUPAC name is trimethylsilyl 16-trimethylsilyloxyhexadecanoate.

Molecular Properties

Compound Nametrimethylsilyl 16-trimethylsilyloxyhexadecanoate
PubChem CID13295625
Molecular FormulaC22H48O3Si2
Molecular Weight416.80 g/mol
Exact Mass416.31
IUPAC Nametrimethylsilyl 16-trimethylsilyloxyhexadecanoate
SMILESC[Si](C)(C)OCCCCCCCCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C22H48O3Si2/c1-26(2,3)24-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22(23)25-27(4,5)6/h7-21H2,1-6H3
InChIKeyJXIYCGGDBJPJJT-UHFFFAOYSA-N
XLogP7.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.80
LogP ≤ 57.68
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 trimethylsilyl 16-trimethylsilyloxyhexadecanoate?
The IUPAC name of trimethylsilyl 16-trimethylsilyloxyhexadecanoate (CID 13295625) is trimethylsilyl 16-trimethylsilyloxyhexadecanoate.
What is the SMILES notation for trimethylsilyl 16-trimethylsilyloxyhexadecanoate?
The canonical SMILES for trimethylsilyl 16-trimethylsilyloxyhexadecanoate is C[Si](C)(C)OCCCCCCCCCCCCCCCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 16-trimethylsilyloxyhexadecanoate?
The InChIKey is JXIYCGGDBJPJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48O3Si2/c1-26(2,3)24-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22(23)25-27(4,5)6/h7-21H2,1-6H3.
What are the key properties of trimethylsilyl 16-trimethylsilyloxyhexadecanoate?
trimethylsilyl 16-trimethylsilyloxyhexadecanoate has a molecular weight of 416.80 g/mol, XLogP of 7.68, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 16-trimethylsilyloxyhexadecanoate is sourced from PubChem (CID 13295625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).