5-[chloro(dimethyl)silyl]pentan-2-one

C7H15ClOSi — CID 166025263

IUPAC5-[chloro(dimethyl)silyl]pentan-2-one
SMILESCC(=O)CCC[Si](C)(C)Cl
InChIInChI=1S/C7H15ClOSi/c1-7(9)5-4-6-10(2,3)8/h4-6H2,1-3H3
InChIKeyYPYANNVOAGJOPM-UHFFFAOYSA-N
MW178.73 g/mol
LogP2.80
Rot. Bonds4

About 5-[chloro(dimethyl)silyl]pentan-2-one

5-[chloro(dimethyl)silyl]pentan-2-one (PubChem CID 166025263) has the molecular formula C7H15ClOSi and a molecular weight of 178.73 g/mol. Its IUPAC name is 5-[chloro(dimethyl)silyl]pentan-2-one.

Molecular Properties

Compound Name5-[chloro(dimethyl)silyl]pentan-2-one
PubChem CID166025263
Molecular FormulaC7H15ClOSi
Molecular Weight178.73 g/mol
Exact Mass178.06
IUPAC Name5-[chloro(dimethyl)silyl]pentan-2-one
SMILESCC(=O)CCC[Si](C)(C)Cl
InChIInChI=1S/C7H15ClOSi/c1-7(9)5-4-6-10(2,3)8/h4-6H2,1-3H3
InChIKeyYPYANNVOAGJOPM-UHFFFAOYSA-N
XLogP2.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.73
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[chloro(dimethyl)silyl]pentan-2-one?
The IUPAC name of 5-[chloro(dimethyl)silyl]pentan-2-one (CID 166025263) is 5-[chloro(dimethyl)silyl]pentan-2-one.
What is the SMILES notation for 5-[chloro(dimethyl)silyl]pentan-2-one?
The canonical SMILES for 5-[chloro(dimethyl)silyl]pentan-2-one is CC(=O)CCC[Si](C)(C)Cl.
What is the InChIKey of 5-[chloro(dimethyl)silyl]pentan-2-one?
The InChIKey is YPYANNVOAGJOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClOSi/c1-7(9)5-4-6-10(2,3)8/h4-6H2,1-3H3.
What are the key properties of 5-[chloro(dimethyl)silyl]pentan-2-one?
5-[chloro(dimethyl)silyl]pentan-2-one has a molecular weight of 178.73 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro(dimethyl)silyl]pentan-2-one is sourced from PubChem (CID 166025263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).