1-triethylsilyloxypentan-3-one

C11H24O2Si — CID 18622678

IUPAC1-triethylsilyloxypentan-3-one
SMILESCCC(=O)CCO[Si](CC)(CC)CC
InChIInChI=1S/C11H24O2Si/c1-5-11(12)9-10-13-14(6-2,7-3)8-4/h5-10H2,1-4H3
InChIKeyURYILWCGLUHXIH-UHFFFAOYSA-N
MW216.40 g/mol
LogP3.38
Rot. Bonds8

About 1-triethylsilyloxypentan-3-one

1-triethylsilyloxypentan-3-one (PubChem CID 18622678) has the molecular formula C11H24O2Si and a molecular weight of 216.40 g/mol. Its IUPAC name is 1-triethylsilyloxypentan-3-one.

Molecular Properties

Compound Name1-triethylsilyloxypentan-3-one
PubChem CID18622678
Molecular FormulaC11H24O2Si
Molecular Weight216.40 g/mol
Exact Mass216.15
IUPAC Name1-triethylsilyloxypentan-3-one
SMILESCCC(=O)CCO[Si](CC)(CC)CC
InChIInChI=1S/C11H24O2Si/c1-5-11(12)9-10-13-14(6-2,7-3)8-4/h5-10H2,1-4H3
InChIKeyURYILWCGLUHXIH-UHFFFAOYSA-N
XLogP3.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.40
LogP ≤ 53.38
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 1-triethylsilyloxypentan-3-one?
The IUPAC name of 1-triethylsilyloxypentan-3-one (CID 18622678) is 1-triethylsilyloxypentan-3-one.
What is the SMILES notation for 1-triethylsilyloxypentan-3-one?
The canonical SMILES for 1-triethylsilyloxypentan-3-one is CCC(=O)CCO[Si](CC)(CC)CC.
What is the InChIKey of 1-triethylsilyloxypentan-3-one?
The InChIKey is URYILWCGLUHXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2Si/c1-5-11(12)9-10-13-14(6-2,7-3)8-4/h5-10H2,1-4H3.
What are the key properties of 1-triethylsilyloxypentan-3-one?
1-triethylsilyloxypentan-3-one has a molecular weight of 216.40 g/mol, XLogP of 3.38, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-triethylsilyloxypentan-3-one is sourced from PubChem (CID 18622678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).