triethylsilyl butanoate

C10H22O2Si — CID 599320

IUPACtriethylsilyl butanoate
SMILESCCCC(=O)O[Si](CC)(CC)CC
InChIInChI=1S/C10H22O2Si/c1-5-9-10(11)12-13(6-2,7-3)8-4/h5-9H2,1-4H3
InChIKeyKEJIHDTXFNEGSD-UHFFFAOYSA-N
MW202.37 g/mol
LogP3.33
Rot. Bonds6

About triethylsilyl butanoate

triethylsilyl butanoate (PubChem CID 599320) has the molecular formula C10H22O2Si and a molecular weight of 202.37 g/mol. Its IUPAC name is triethylsilyl butanoate.

Molecular Properties

Compound Nametriethylsilyl butanoate
PubChem CID599320
Molecular FormulaC10H22O2Si
Molecular Weight202.37 g/mol
Exact Mass202.14
IUPAC Nametriethylsilyl butanoate
SMILESCCCC(=O)O[Si](CC)(CC)CC
InChIInChI=1S/C10H22O2Si/c1-5-9-10(11)12-13(6-2,7-3)8-4/h5-9H2,1-4H3
InChIKeyKEJIHDTXFNEGSD-UHFFFAOYSA-N
XLogP3.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 53.33
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 butanoate?
The IUPAC name of triethylsilyl butanoate (CID 599320) is triethylsilyl butanoate.
What is the SMILES notation for triethylsilyl butanoate?
The canonical SMILES for triethylsilyl butanoate is CCCC(=O)O[Si](CC)(CC)CC.
What is the InChIKey of triethylsilyl butanoate?
The InChIKey is KEJIHDTXFNEGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2Si/c1-5-9-10(11)12-13(6-2,7-3)8-4/h5-9H2,1-4H3.
What are the key properties of triethylsilyl butanoate?
triethylsilyl butanoate has a molecular weight of 202.37 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethylsilyl butanoate is sourced from PubChem (CID 599320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).