trimethylsilyl 2-oxooctanoate

C11H22O3Si — CID 575967

IUPACtrimethylsilyl 2-oxooctanoate
SMILESCCCCCCC(=O)C(=O)O[Si](C)(C)C
InChIInChI=1S/C11H22O3Si/c1-5-6-7-8-9-10(12)11(13)14-15(2,3)4/h5-9H2,1-4H3
InChIKeyQFYWLKHRYDIOSX-UHFFFAOYSA-N
MW230.38 g/mol
LogP2.90
Rot. Bonds7

About trimethylsilyl 2-oxooctanoate

trimethylsilyl 2-oxooctanoate (PubChem CID 575967) has the molecular formula C11H22O3Si and a molecular weight of 230.38 g/mol. Its IUPAC name is trimethylsilyl 2-oxooctanoate.

Molecular Properties

Compound Nametrimethylsilyl 2-oxooctanoate
PubChem CID575967
Molecular FormulaC11H22O3Si
Molecular Weight230.38 g/mol
Exact Mass230.13
IUPAC Nametrimethylsilyl 2-oxooctanoate
SMILESCCCCCCC(=O)C(=O)O[Si](C)(C)C
InChIInChI=1S/C11H22O3Si/c1-5-6-7-8-9-10(12)11(13)14-15(2,3)4/h5-9H2,1-4H3
InChIKeyQFYWLKHRYDIOSX-UHFFFAOYSA-N
XLogP2.90
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-oxooctanoate?
The IUPAC name of trimethylsilyl 2-oxooctanoate (CID 575967) is trimethylsilyl 2-oxooctanoate.
What is the SMILES notation for trimethylsilyl 2-oxooctanoate?
The canonical SMILES for trimethylsilyl 2-oxooctanoate is CCCCCCC(=O)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-oxooctanoate?
The InChIKey is QFYWLKHRYDIOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3Si/c1-5-6-7-8-9-10(12)11(13)14-15(2,3)4/h5-9H2,1-4H3.
What are the key properties of trimethylsilyl 2-oxooctanoate?
trimethylsilyl 2-oxooctanoate has a molecular weight of 230.38 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-oxooctanoate is sourced from PubChem (CID 575967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).