(3,4-diiodophenyl)-dimethoxy-methylsilane

C9H12I2O2Si — CID 153491359

IUPAC(3,4-diiodophenyl)-dimethoxy-methylsilane
SMILESCO[Si](C)(OC)c1ccc(I)c(I)c1
InChIInChI=1S/C9H12I2O2Si/c1-12-14(3,13-2)7-4-5-8(10)9(11)6-7/h4-6H,1-3H3
InChIKeyFTTJUCFIYBQWOJ-UHFFFAOYSA-N
MW434.09 g/mol
LogP2.47
Rot. Bonds3

About (3,4-diiodophenyl)-dimethoxy-methylsilane

(3,4-diiodophenyl)-dimethoxy-methylsilane (PubChem CID 153491359) has the molecular formula C9H12I2O2Si and a molecular weight of 434.09 g/mol. Its IUPAC name is (3,4-diiodophenyl)-dimethoxy-methylsilane.

Molecular Properties

Compound Name(3,4-diiodophenyl)-dimethoxy-methylsilane
PubChem CID153491359
Molecular FormulaC9H12I2O2Si
Molecular Weight434.09 g/mol
Exact Mass433.87
IUPAC Name(3,4-diiodophenyl)-dimethoxy-methylsilane
SMILESCO[Si](C)(OC)c1ccc(I)c(I)c1
InChIInChI=1S/C9H12I2O2Si/c1-12-14(3,13-2)7-4-5-8(10)9(11)6-7/h4-6H,1-3H3
InChIKeyFTTJUCFIYBQWOJ-UHFFFAOYSA-N
XLogP2.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.09
LogP ≤ 52.47
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 (3,4-diiodophenyl)-dimethoxy-methylsilane?
The IUPAC name of (3,4-diiodophenyl)-dimethoxy-methylsilane (CID 153491359) is (3,4-diiodophenyl)-dimethoxy-methylsilane.
What is the SMILES notation for (3,4-diiodophenyl)-dimethoxy-methylsilane?
The canonical SMILES for (3,4-diiodophenyl)-dimethoxy-methylsilane is CO[Si](C)(OC)c1ccc(I)c(I)c1.
What is the InChIKey of (3,4-diiodophenyl)-dimethoxy-methylsilane?
The InChIKey is FTTJUCFIYBQWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12I2O2Si/c1-12-14(3,13-2)7-4-5-8(10)9(11)6-7/h4-6H,1-3H3.
What are the key properties of (3,4-diiodophenyl)-dimethoxy-methylsilane?
(3,4-diiodophenyl)-dimethoxy-methylsilane has a molecular weight of 434.09 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diiodophenyl)-dimethoxy-methylsilane is sourced from PubChem (CID 153491359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).