CID 155601525

C6H4IOSi — CID 155601525

IUPAC—
SMILESOc1c([Si])cccc1I
InChIInChI=1S/C6H4IOSi/c7-4-2-1-3-5(9)6(4)8/h1-3,8H
InChIKeyRPPYQLGAXNYEFO-UHFFFAOYSA-N
MW247.09 g/mol
LogP0.79
Rot. Bonds

About CID 155601525

CID 155601525 (PubChem CID 155601525) has the molecular formula C6H4IOSi and a molecular weight of 247.09 g/mol.

Molecular Properties

Compound NameCID 155601525
PubChem CID155601525
Molecular FormulaC6H4IOSi
Molecular Weight247.09 g/mol
Exact Mass246.91
IUPAC Name—
SMILESOc1c([Si])cccc1I
InChIInChI=1S/C6H4IOSi/c7-4-2-1-3-5(9)6(4)8/h1-3,8H
InChIKeyRPPYQLGAXNYEFO-UHFFFAOYSA-N
XLogP0.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.09
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 CID 155601525?
The IUPAC name of CID 155601525 (CID 155601525) is not available.
What is the SMILES notation for CID 155601525?
The canonical SMILES for CID 155601525 is Oc1c([Si])cccc1I.
What is the InChIKey of CID 155601525?
The InChIKey is RPPYQLGAXNYEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4IOSi/c7-4-2-1-3-5(9)6(4)8/h1-3,8H.
What are the key properties of CID 155601525?
CID 155601525 has a molecular weight of 247.09 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155601525 is sourced from PubChem (CID 155601525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).