ethoxy-diethyl-phenoxysilane

C12H20O2Si — CID 15146062

IUPACethoxy-diethyl-phenoxysilane
SMILESCCO[Si](CC)(CC)Oc1ccccc1
InChIInChI=1S/C12H20O2Si/c1-4-13-15(5-2,6-3)14-12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3
InChIKeyLNFZSMPMUAZZIU-UHFFFAOYSA-N
MW224.38 g/mol
LogP3.58
Rot. Bonds6

About ethoxy-diethyl-phenoxysilane

ethoxy-diethyl-phenoxysilane (PubChem CID 15146062) has the molecular formula C12H20O2Si and a molecular weight of 224.38 g/mol. Its IUPAC name is ethoxy-diethyl-phenoxysilane.

Molecular Properties

Compound Nameethoxy-diethyl-phenoxysilane
PubChem CID15146062
Molecular FormulaC12H20O2Si
Molecular Weight224.38 g/mol
Exact Mass224.12
IUPAC Nameethoxy-diethyl-phenoxysilane
SMILESCCO[Si](CC)(CC)Oc1ccccc1
InChIInChI=1S/C12H20O2Si/c1-4-13-15(5-2,6-3)14-12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3
InChIKeyLNFZSMPMUAZZIU-UHFFFAOYSA-N
XLogP3.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.38
LogP ≤ 53.58
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 ethoxy-diethyl-phenoxysilane?
The IUPAC name of ethoxy-diethyl-phenoxysilane (CID 15146062) is ethoxy-diethyl-phenoxysilane.
What is the SMILES notation for ethoxy-diethyl-phenoxysilane?
The canonical SMILES for ethoxy-diethyl-phenoxysilane is CCO[Si](CC)(CC)Oc1ccccc1.
What is the InChIKey of ethoxy-diethyl-phenoxysilane?
The InChIKey is LNFZSMPMUAZZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2Si/c1-4-13-15(5-2,6-3)14-12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3.
What are the key properties of ethoxy-diethyl-phenoxysilane?
ethoxy-diethyl-phenoxysilane has a molecular weight of 224.38 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-diethyl-phenoxysilane is sourced from PubChem (CID 15146062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).