2-diphenylphosphorylethyl-dimethoxy-methylsilane

C17H23O3PSi — CID 13356480

IUPAC2-diphenylphosphorylethyl-dimethoxy-methylsilane
SMILESCO[Si](C)(CCP(=O)(c1ccccc1)c1ccccc1)OC
InChIInChI=1S/C17H23O3PSi/c1-19-22(3,20-2)15-14-21(18,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3
InChIKeyMTHHZQOGDWEADL-UHFFFAOYSA-N
MW334.43 g/mol
LogP3.37
Rot. Bonds7

About 2-diphenylphosphorylethyl-dimethoxy-methylsilane

2-diphenylphosphorylethyl-dimethoxy-methylsilane (PubChem CID 13356480) has the molecular formula C17H23O3PSi and a molecular weight of 334.43 g/mol. Its IUPAC name is 2-diphenylphosphorylethyl-dimethoxy-methylsilane.

Molecular Properties

Compound Name2-diphenylphosphorylethyl-dimethoxy-methylsilane
PubChem CID13356480
Molecular FormulaC17H23O3PSi
Molecular Weight334.43 g/mol
Exact Mass334.12
IUPAC Name2-diphenylphosphorylethyl-dimethoxy-methylsilane
SMILESCO[Si](C)(CCP(=O)(c1ccccc1)c1ccccc1)OC
InChIInChI=1S/C17H23O3PSi/c1-19-22(3,20-2)15-14-21(18,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3
InChIKeyMTHHZQOGDWEADL-UHFFFAOYSA-N
XLogP3.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphorylethyl-dimethoxy-methylsilane?
The IUPAC name of 2-diphenylphosphorylethyl-dimethoxy-methylsilane (CID 13356480) is 2-diphenylphosphorylethyl-dimethoxy-methylsilane.
What is the SMILES notation for 2-diphenylphosphorylethyl-dimethoxy-methylsilane?
The canonical SMILES for 2-diphenylphosphorylethyl-dimethoxy-methylsilane is CO[Si](C)(CCP(=O)(c1ccccc1)c1ccccc1)OC.
What is the InChIKey of 2-diphenylphosphorylethyl-dimethoxy-methylsilane?
The InChIKey is MTHHZQOGDWEADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23O3PSi/c1-19-22(3,20-2)15-14-21(18,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3.
What are the key properties of 2-diphenylphosphorylethyl-dimethoxy-methylsilane?
2-diphenylphosphorylethyl-dimethoxy-methylsilane has a molecular weight of 334.43 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphorylethyl-dimethoxy-methylsilane is sourced from PubChem (CID 13356480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).