triethylsilyl pentanoate

C11H24O2Si — CID 604415

IUPACtriethylsilyl pentanoate
SMILESCCCCC(=O)O[Si](CC)(CC)CC
InChIInChI=1S/C11H24O2Si/c1-5-9-10-11(12)13-14(6-2,7-3)8-4/h5-10H2,1-4H3
InChIKeyJEZDAGARLVZEGB-UHFFFAOYSA-N
MW216.40 g/mol
LogP3.72
Rot. Bonds7

About triethylsilyl pentanoate

triethylsilyl pentanoate (PubChem CID 604415) has the molecular formula C11H24O2Si and a molecular weight of 216.40 g/mol. Its IUPAC name is triethylsilyl pentanoate.

Molecular Properties

Compound Nametriethylsilyl pentanoate
PubChem CID604415
Molecular FormulaC11H24O2Si
Molecular Weight216.40 g/mol
Exact Mass216.15
IUPAC Nametriethylsilyl pentanoate
SMILESCCCCC(=O)O[Si](CC)(CC)CC
InChIInChI=1S/C11H24O2Si/c1-5-9-10-11(12)13-14(6-2,7-3)8-4/h5-10H2,1-4H3
InChIKeyJEZDAGARLVZEGB-UHFFFAOYSA-N
XLogP3.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.40
LogP ≤ 53.72
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 pentanoate?
The IUPAC name of triethylsilyl pentanoate (CID 604415) is triethylsilyl pentanoate.
What is the SMILES notation for triethylsilyl pentanoate?
The canonical SMILES for triethylsilyl pentanoate is CCCCC(=O)O[Si](CC)(CC)CC.
What is the InChIKey of triethylsilyl pentanoate?
The InChIKey is JEZDAGARLVZEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2Si/c1-5-9-10-11(12)13-14(6-2,7-3)8-4/h5-10H2,1-4H3.
What are the key properties of triethylsilyl pentanoate?
triethylsilyl pentanoate has a molecular weight of 216.40 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethylsilyl pentanoate is sourced from PubChem (CID 604415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).