triethylsilyl propanoate

C9H20O2Si — CID 594353

IUPACtriethylsilyl propanoate
SMILESCCC(=O)O[Si](CC)(CC)CC
InChIInChI=1S/C9H20O2Si/c1-5-9(10)11-12(6-2,7-3)8-4/h5-8H2,1-4H3
InChIKeyANELUDATZNYOPH-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.94
Rot. Bonds5

About triethylsilyl propanoate

triethylsilyl propanoate (PubChem CID 594353) has the molecular formula C9H20O2Si and a molecular weight of 188.34 g/mol. Its IUPAC name is triethylsilyl propanoate.

Molecular Properties

Compound Nametriethylsilyl propanoate
PubChem CID594353
Molecular FormulaC9H20O2Si
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Nametriethylsilyl propanoate
SMILESCCC(=O)O[Si](CC)(CC)CC
InChIInChI=1S/C9H20O2Si/c1-5-9(10)11-12(6-2,7-3)8-4/h5-8H2,1-4H3
InChIKeyANELUDATZNYOPH-UHFFFAOYSA-N
XLogP2.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.94
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 triethylsilyl propanoate?
The IUPAC name of triethylsilyl propanoate (CID 594353) is triethylsilyl propanoate.
What is the SMILES notation for triethylsilyl propanoate?
The canonical SMILES for triethylsilyl propanoate is CCC(=O)O[Si](CC)(CC)CC.
What is the InChIKey of triethylsilyl propanoate?
The InChIKey is ANELUDATZNYOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2Si/c1-5-9(10)11-12(6-2,7-3)8-4/h5-8H2,1-4H3.
What are the key properties of triethylsilyl propanoate?
triethylsilyl propanoate has a molecular weight of 188.34 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethylsilyl propanoate is sourced from PubChem (CID 594353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).