trimethylsilyl decanoate

C13H28O2Si — CID 521628

IUPACtrimethylsilyl decanoate
SMILESCCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C13H28O2Si/c1-5-6-7-8-9-10-11-12-13(14)15-16(2,3)4/h5-12H2,1-4H3
InChIKeyFGTNBYWFNITQJR-UHFFFAOYSA-N
MW244.45 g/mol
LogP4.51
Rot. Bonds9

About trimethylsilyl decanoate

trimethylsilyl decanoate (PubChem CID 521628) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is trimethylsilyl decanoate.

Molecular Properties

Compound Nametrimethylsilyl decanoate
PubChem CID521628
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Nametrimethylsilyl decanoate
SMILESCCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C13H28O2Si/c1-5-6-7-8-9-10-11-12-13(14)15-16(2,3)4/h5-12H2,1-4H3
InChIKeyFGTNBYWFNITQJR-UHFFFAOYSA-N
XLogP4.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 decanoate?
The IUPAC name of trimethylsilyl decanoate (CID 521628) is trimethylsilyl decanoate.
What is the SMILES notation for trimethylsilyl decanoate?
The canonical SMILES for trimethylsilyl decanoate is CCCCCCCCCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl decanoate?
The InChIKey is FGTNBYWFNITQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-5-6-7-8-9-10-11-12-13(14)15-16(2,3)4/h5-12H2,1-4H3.
What are the key properties of trimethylsilyl decanoate?
trimethylsilyl decanoate has a molecular weight of 244.45 g/mol, XLogP of 4.51, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl decanoate is sourced from PubChem (CID 521628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).