3-ethyl-3-triethylsilyloxypentanoic acid

C13H28O3Si — CID 87444669

IUPAC3-ethyl-3-triethylsilyloxypentanoic acid
SMILESCCC(CC)(CC(=O)O)O[Si](CC)(CC)CC
InChIInChI=1S/C13H28O3Si/c1-6-13(7-2,11-12(14)15)16-17(8-3,9-4)10-5/h6-11H2,1-5H3,(H,14,15)
InChIKeyDQJKDCIJPPXUEK-UHFFFAOYSA-N
MW260.45 g/mol
LogP4.04
Rot. Bonds9

About 3-ethyl-3-triethylsilyloxypentanoic acid

3-ethyl-3-triethylsilyloxypentanoic acid (PubChem CID 87444669) has the molecular formula C13H28O3Si and a molecular weight of 260.45 g/mol. Its IUPAC name is 3-ethyl-3-triethylsilyloxypentanoic acid.

Molecular Properties

Compound Name3-ethyl-3-triethylsilyloxypentanoic acid
PubChem CID87444669
Molecular FormulaC13H28O3Si
Molecular Weight260.45 g/mol
Exact Mass260.18
IUPAC Name3-ethyl-3-triethylsilyloxypentanoic acid
SMILESCCC(CC)(CC(=O)O)O[Si](CC)(CC)CC
InChIInChI=1S/C13H28O3Si/c1-6-13(7-2,11-12(14)15)16-17(8-3,9-4)10-5/h6-11H2,1-5H3,(H,14,15)
InChIKeyDQJKDCIJPPXUEK-UHFFFAOYSA-N
XLogP4.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 54.04
H-Bond Donors ≤ 51
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 3-ethyl-3-triethylsilyloxypentanoic acid?
The IUPAC name of 3-ethyl-3-triethylsilyloxypentanoic acid (CID 87444669) is 3-ethyl-3-triethylsilyloxypentanoic acid.
What is the SMILES notation for 3-ethyl-3-triethylsilyloxypentanoic acid?
The canonical SMILES for 3-ethyl-3-triethylsilyloxypentanoic acid is CCC(CC)(CC(=O)O)O[Si](CC)(CC)CC.
What is the InChIKey of 3-ethyl-3-triethylsilyloxypentanoic acid?
The InChIKey is DQJKDCIJPPXUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3Si/c1-6-13(7-2,11-12(14)15)16-17(8-3,9-4)10-5/h6-11H2,1-5H3,(H,14,15).
What are the key properties of 3-ethyl-3-triethylsilyloxypentanoic acid?
3-ethyl-3-triethylsilyloxypentanoic acid has a molecular weight of 260.45 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-triethylsilyloxypentanoic acid is sourced from PubChem (CID 87444669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).