triethylsilyl hexanoate

C12H26O2Si — CID 125473299

IUPACtriethylsilyl hexanoate
SMILESCCCCCC(=O)O[Si](CC)(CC)CC
InChIInChI=1S/C12H26O2Si/c1-5-9-10-11-12(13)14-15(6-2,7-3)8-4/h5-11H2,1-4H3
InChIKeyVKCCUEPITXLJAV-UHFFFAOYSA-N
MW230.42 g/mol
LogP4.12
Rot. Bonds8

About triethylsilyl hexanoate

triethylsilyl hexanoate (PubChem CID 125473299) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is triethylsilyl hexanoate.

Molecular Properties

Compound Nametriethylsilyl hexanoate
PubChem CID125473299
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Nametriethylsilyl hexanoate
SMILESCCCCCC(=O)O[Si](CC)(CC)CC
InChIInChI=1S/C12H26O2Si/c1-5-9-10-11-12(13)14-15(6-2,7-3)8-4/h5-11H2,1-4H3
InChIKeyVKCCUEPITXLJAV-UHFFFAOYSA-N
XLogP4.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 54.12
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 triethylsilyl hexanoate?
The IUPAC name of triethylsilyl hexanoate (CID 125473299) is triethylsilyl hexanoate.
What is the SMILES notation for triethylsilyl hexanoate?
The canonical SMILES for triethylsilyl hexanoate is CCCCCC(=O)O[Si](CC)(CC)CC.
What is the InChIKey of triethylsilyl hexanoate?
The InChIKey is VKCCUEPITXLJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-5-9-10-11-12(13)14-15(6-2,7-3)8-4/h5-11H2,1-4H3.
What are the key properties of triethylsilyl hexanoate?
triethylsilyl hexanoate has a molecular weight of 230.42 g/mol, XLogP of 4.12, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethylsilyl hexanoate is sourced from PubChem (CID 125473299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).