diethyl-bis[(2-iodophenoxy)methyl]silane

C18H22I2O2Si — CID 162772925

IUPACdiethyl-bis[(2-iodophenoxy)methyl]silane
SMILESCC[Si](CC)(COc1ccccc1I)COc1ccccc1I
InChIInChI=1S/C18H22I2O2Si/c1-3-23(4-2,13-21-17-11-7-5-9-15(17)19)14-22-18-12-8-6-10-16(18)20/h5-12H,3-4,13-14H2,1-2H3
InChIKeyMRRBABYVFYLOGD-UHFFFAOYSA-N
MW552.27 g/mol
LogP5.92
Rot. Bonds8

About diethyl-bis[(2-iodophenoxy)methyl]silane

diethyl-bis[(2-iodophenoxy)methyl]silane (PubChem CID 162772925) has the molecular formula C18H22I2O2Si and a molecular weight of 552.27 g/mol. Its IUPAC name is diethyl-bis[(2-iodophenoxy)methyl]silane.

Molecular Properties

Compound Namediethyl-bis[(2-iodophenoxy)methyl]silane
PubChem CID162772925
Molecular FormulaC18H22I2O2Si
Molecular Weight552.27 g/mol
Exact Mass551.95
IUPAC Namediethyl-bis[(2-iodophenoxy)methyl]silane
SMILESCC[Si](CC)(COc1ccccc1I)COc1ccccc1I
InChIInChI=1S/C18H22I2O2Si/c1-3-23(4-2,13-21-17-11-7-5-9-15(17)19)14-22-18-12-8-6-10-16(18)20/h5-12H,3-4,13-14H2,1-2H3
InChIKeyMRRBABYVFYLOGD-UHFFFAOYSA-N
XLogP5.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.27
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl-bis[(2-iodophenoxy)methyl]silane?
The IUPAC name of diethyl-bis[(2-iodophenoxy)methyl]silane (CID 162772925) is diethyl-bis[(2-iodophenoxy)methyl]silane.
What is the SMILES notation for diethyl-bis[(2-iodophenoxy)methyl]silane?
The canonical SMILES for diethyl-bis[(2-iodophenoxy)methyl]silane is CC[Si](CC)(COc1ccccc1I)COc1ccccc1I.
What is the InChIKey of diethyl-bis[(2-iodophenoxy)methyl]silane?
The InChIKey is MRRBABYVFYLOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22I2O2Si/c1-3-23(4-2,13-21-17-11-7-5-9-15(17)19)14-22-18-12-8-6-10-16(18)20/h5-12H,3-4,13-14H2,1-2H3.
What are the key properties of diethyl-bis[(2-iodophenoxy)methyl]silane?
diethyl-bis[(2-iodophenoxy)methyl]silane has a molecular weight of 552.27 g/mol, XLogP of 5.92, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-bis[(2-iodophenoxy)methyl]silane is sourced from PubChem (CID 162772925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).