trimethylsilyl propanoate

C6H14O2Si — CID 519321

IUPACtrimethylsilyl propanoate
SMILESCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C6H14O2Si/c1-5-6(7)8-9(2,3)4/h5H2,1-4H3
InChIKeyQVSRWXFOZLIWJS-UHFFFAOYSA-N
MW146.26 g/mol
LogP1.77
Rot. Bonds2

About trimethylsilyl propanoate

trimethylsilyl propanoate (PubChem CID 519321) has the molecular formula C6H14O2Si and a molecular weight of 146.26 g/mol. Its IUPAC name is trimethylsilyl propanoate.

Molecular Properties

Compound Nametrimethylsilyl propanoate
PubChem CID519321
Molecular FormulaC6H14O2Si
Molecular Weight146.26 g/mol
Exact Mass146.08
IUPAC Nametrimethylsilyl propanoate
SMILESCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C6H14O2Si/c1-5-6(7)8-9(2,3)4/h5H2,1-4H3
InChIKeyQVSRWXFOZLIWJS-UHFFFAOYSA-N
XLogP1.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.26
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl propanoate?
The IUPAC name of trimethylsilyl propanoate (CID 519321) is trimethylsilyl propanoate.
What is the SMILES notation for trimethylsilyl propanoate?
The canonical SMILES for trimethylsilyl propanoate is CCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl propanoate?
The InChIKey is QVSRWXFOZLIWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2Si/c1-5-6(7)8-9(2,3)4/h5H2,1-4H3.
What are the key properties of trimethylsilyl propanoate?
trimethylsilyl propanoate has a molecular weight of 146.26 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl propanoate is sourced from PubChem (CID 519321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).