diethoxymethyl-(4-ethenylphenyl)silane

C13H20O2Si — CID 71442631

IUPACdiethoxymethyl-(4-ethenylphenyl)silane
SMILESC=Cc1ccc([SiH2]C(OCC)OCC)cc1
InChIInChI=1S/C13H20O2Si/c1-4-11-7-9-12(10-8-11)16-13(14-5-2)15-6-3/h4,7-10,13H,1,5-6,16H2,2-3H3
InChIKeyPAUHSGGIRFHTGM-UHFFFAOYSA-N
MW236.39 g/mol
LogP1.48
Rot. Bonds7

About diethoxymethyl-(4-ethenylphenyl)silane

diethoxymethyl-(4-ethenylphenyl)silane (PubChem CID 71442631) has the molecular formula C13H20O2Si and a molecular weight of 236.39 g/mol. Its IUPAC name is diethoxymethyl-(4-ethenylphenyl)silane.

Molecular Properties

Compound Namediethoxymethyl-(4-ethenylphenyl)silane
PubChem CID71442631
Molecular FormulaC13H20O2Si
Molecular Weight236.39 g/mol
Exact Mass236.12
IUPAC Namediethoxymethyl-(4-ethenylphenyl)silane
SMILESC=Cc1ccc([SiH2]C(OCC)OCC)cc1
InChIInChI=1S/C13H20O2Si/c1-4-11-7-9-12(10-8-11)16-13(14-5-2)15-6-3/h4,7-10,13H,1,5-6,16H2,2-3H3
InChIKeyPAUHSGGIRFHTGM-UHFFFAOYSA-N
XLogP1.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.39
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethoxymethyl-(4-ethenylphenyl)silane?
The IUPAC name of diethoxymethyl-(4-ethenylphenyl)silane (CID 71442631) is diethoxymethyl-(4-ethenylphenyl)silane.
What is the SMILES notation for diethoxymethyl-(4-ethenylphenyl)silane?
The canonical SMILES for diethoxymethyl-(4-ethenylphenyl)silane is C=Cc1ccc([SiH2]C(OCC)OCC)cc1.
What is the InChIKey of diethoxymethyl-(4-ethenylphenyl)silane?
The InChIKey is PAUHSGGIRFHTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2Si/c1-4-11-7-9-12(10-8-11)16-13(14-5-2)15-6-3/h4,7-10,13H,1,5-6,16H2,2-3H3.
What are the key properties of diethoxymethyl-(4-ethenylphenyl)silane?
diethoxymethyl-(4-ethenylphenyl)silane has a molecular weight of 236.39 g/mol, XLogP of 1.48, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxymethyl-(4-ethenylphenyl)silane is sourced from PubChem (CID 71442631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).