bis(4-chlorophenoxy)-diethylsilane

C16H18Cl2O2Si — CID 91742030

IUPACbis(4-chlorophenoxy)-diethylsilane
SMILESCC[Si](CC)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C16H18Cl2O2Si/c1-3-21(4-2,19-15-9-5-13(17)6-10-15)20-16-11-7-14(18)8-12-16/h5-12H,3-4H2,1-2H3
InChIKeyUBBAVTBMFWXADL-UHFFFAOYSA-N
MW341.31 g/mol
LogP5.93
Rot. Bonds6

About bis(4-chlorophenoxy)-diethylsilane

bis(4-chlorophenoxy)-diethylsilane (PubChem CID 91742030) has the molecular formula C16H18Cl2O2Si and a molecular weight of 341.31 g/mol. Its IUPAC name is bis(4-chlorophenoxy)-diethylsilane.

Molecular Properties

Compound Namebis(4-chlorophenoxy)-diethylsilane
PubChem CID91742030
Molecular FormulaC16H18Cl2O2Si
Molecular Weight341.31 g/mol
Exact Mass340.05
IUPAC Namebis(4-chlorophenoxy)-diethylsilane
SMILESCC[Si](CC)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C16H18Cl2O2Si/c1-3-21(4-2,19-15-9-5-13(17)6-10-15)20-16-11-7-14(18)8-12-16/h5-12H,3-4H2,1-2H3
InChIKeyUBBAVTBMFWXADL-UHFFFAOYSA-N
XLogP5.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.31
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butoxy-(4-chlorophenoxy)-diethylsilane
CID 91733158
(4-chlorophenoxy)-trihexylsilane
CID 532625
ethoxy-diethyl-phenoxysilane
CID 15146062
1,4-bis(4-chlorophenoxy)benzene
CID 10996522
1-butan-2-yloxy-4-chlorobenzene
CID 14121698
dodecoxy-diethyl-(4-methoxyphenoxy)silane
CID 91744611
1-chloro-4-heptan-4-yloxybenzene
CID 142490419
(4-chloro-3-methylphenoxy)-diethyl-pentoxysilane
CID 91740979
2-(4-chlorophenoxy)-1-ethyl-4-methylimidazole
CID 117189880
(4-chlorophenyl)-methyl-dipropoxysilane
CID 151479399
1-chloro-4-(1-chlorobutan-2-yloxy)benzene
CID 70462784
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791

Frequently Asked Questions

What is the IUPAC name of bis(4-chlorophenoxy)-diethylsilane?
The IUPAC name of bis(4-chlorophenoxy)-diethylsilane (CID 91742030) is bis(4-chlorophenoxy)-diethylsilane.
What is the SMILES notation for bis(4-chlorophenoxy)-diethylsilane?
The canonical SMILES for bis(4-chlorophenoxy)-diethylsilane is CC[Si](CC)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1.
What is the InChIKey of bis(4-chlorophenoxy)-diethylsilane?
The InChIKey is UBBAVTBMFWXADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2O2Si/c1-3-21(4-2,19-15-9-5-13(17)6-10-15)20-16-11-7-14(18)8-12-16/h5-12H,3-4H2,1-2H3.
What are the key properties of bis(4-chlorophenoxy)-diethylsilane?
bis(4-chlorophenoxy)-diethylsilane has a molecular weight of 341.31 g/mol, XLogP of 5.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-chlorophenoxy)-diethylsilane is sourced from PubChem (CID 91742030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).