trimethylsilyl 10-oxo-16-trimethylsilyloxyhexadecanoate

C22H46O4Si2 — CID 91750154

IUPACtrimethylsilyl 10-oxo-16-trimethylsilyloxyhexadecanoate
SMILESC[Si](C)(C)OCCCCCCC(=O)CCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C22H46O4Si2/c1-27(2,3)25-20-16-12-11-14-18-21(23)17-13-9-7-8-10-15-19-22(24)26-28(4,5)6/h7-20H2,1-6H3
InChIKeySIBVVZPQHDTPLH-UHFFFAOYSA-N
MW430.78 g/mol
LogP6.86
Rot. Bonds18

About trimethylsilyl 10-oxo-16-trimethylsilyloxyhexadecanoate

trimethylsilyl 10-oxo-16-trimethylsilyloxyhexadecanoate (PubChem CID 91750154) has the molecular formula C22H46O4Si2 and a molecular weight of 430.78 g/mol. Its IUPAC name is trimethylsilyl 10-oxo-16-trimethylsilyloxyhexadecanoate.

Molecular Properties

Compound Nametrimethylsilyl 10-oxo-16-trimethylsilyloxyhexadecanoate
PubChem CID91750154
Molecular FormulaC22H46O4Si2
Molecular Weight430.78 g/mol
Exact Mass430.29
IUPAC Nametrimethylsilyl 10-oxo-16-trimethylsilyloxyhexadecanoate
SMILESC[Si](C)(C)OCCCCCCC(=O)CCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C22H46O4Si2/c1-27(2,3)25-20-16-12-11-14-18-21(23)17-13-9-7-8-10-15-19-22(24)26-28(4,5)6/h7-20H2,1-6H3
InChIKeySIBVVZPQHDTPLH-UHFFFAOYSA-N
XLogP6.86
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.78
LogP ≤ 56.86
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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Related Compounds

Trimethylsilyl stearate
CID 87777
Npc119807
CID 519592
Hexadecanic acid, trimethylsilyl ester
CID 521638
Trimethylsilyl tridecanoate
CID 519342
n-Pentanoic acid, trimethylsilyl ester
CID 523679
Bis(trimethylsilyl) sebacate
CID 519558
Octanedioic acid, bis(trimethylsilyl) ester
CID 521138
Trimethylsilyl tetracosanoate
CID 522540
Methyl 16-[(trimethylsilyl)oxy]hexadecanoate
CID 554929
Bis(trimethylsilyl) azelaate
CID 519492
Trimethylsilyl heptadecanoate
CID 521635
Arachidic acid, trimethylsilyl ester
CID 521648

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 10-oxo-16-trimethylsilyloxyhexadecanoate?
The IUPAC name of trimethylsilyl 10-oxo-16-trimethylsilyloxyhexadecanoate (CID 91750154) is trimethylsilyl 10-oxo-16-trimethylsilyloxyhexadecanoate.
What is the SMILES notation for trimethylsilyl 10-oxo-16-trimethylsilyloxyhexadecanoate?
The canonical SMILES for trimethylsilyl 10-oxo-16-trimethylsilyloxyhexadecanoate is C[Si](C)(C)OCCCCCCC(=O)CCCCCCCCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 10-oxo-16-trimethylsilyloxyhexadecanoate?
The InChIKey is SIBVVZPQHDTPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O4Si2/c1-27(2,3)25-20-16-12-11-14-18-21(23)17-13-9-7-8-10-15-19-22(24)26-28(4,5)6/h7-20H2,1-6H3.
What are the key properties of trimethylsilyl 10-oxo-16-trimethylsilyloxyhexadecanoate?
trimethylsilyl 10-oxo-16-trimethylsilyloxyhexadecanoate has a molecular weight of 430.78 g/mol, XLogP of 6.86, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 10-oxo-16-trimethylsilyloxyhexadecanoate is sourced from PubChem (CID 91750154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).