diethoxymethyl(2-phenylethyl)silane

C13H22O2Si — CID 3023430

IUPACdiethoxymethyl(2-phenylethyl)silane
SMILESCCOC(OCC)[SiH2]CCc1ccccc1
InChIInChI=1S/C13H22O2Si/c1-3-14-13(15-4-2)16-11-10-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3
InChIKeyFKYKHRBVWSYIQV-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.17
Rot. Bonds8

About diethoxymethyl(2-phenylethyl)silane

diethoxymethyl(2-phenylethyl)silane (PubChem CID 3023430) has the molecular formula C13H22O2Si and a molecular weight of 238.40 g/mol. Its IUPAC name is diethoxymethyl(2-phenylethyl)silane.

Molecular Properties

Compound Namediethoxymethyl(2-phenylethyl)silane
PubChem CID3023430
Molecular FormulaC13H22O2Si
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Namediethoxymethyl(2-phenylethyl)silane
SMILESCCOC(OCC)[SiH2]CCc1ccccc1
InChIInChI=1S/C13H22O2Si/c1-3-14-13(15-4-2)16-11-10-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3
InChIKeyFKYKHRBVWSYIQV-UHFFFAOYSA-N
XLogP2.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.17
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'}

Analyze diethoxymethyl(2-phenylethyl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of diethoxymethyl(2-phenylethyl)silane?
The IUPAC name of diethoxymethyl(2-phenylethyl)silane (CID 3023430) is diethoxymethyl(2-phenylethyl)silane.
What is the SMILES notation for diethoxymethyl(2-phenylethyl)silane?
The canonical SMILES for diethoxymethyl(2-phenylethyl)silane is CCOC(OCC)[SiH2]CCc1ccccc1.
What is the InChIKey of diethoxymethyl(2-phenylethyl)silane?
The InChIKey is FKYKHRBVWSYIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2Si/c1-3-14-13(15-4-2)16-11-10-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3.
What are the key properties of diethoxymethyl(2-phenylethyl)silane?
diethoxymethyl(2-phenylethyl)silane has a molecular weight of 238.40 g/mol, XLogP of 2.17, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxymethyl(2-phenylethyl)silane is sourced from PubChem (CID 3023430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).