CID 155601557

C8H8IOSi — CID 155601557

IUPAC—
SMILESOCc1ccc(I)c(C[Si])c1
InChIInChI=1S/C8H8IOSi/c9-8-2-1-6(4-10)3-7(8)5-11/h1-3,10H,4-5H2
InChIKeyCNQKWHGOWZNJGE-UHFFFAOYSA-N
MW275.14 g/mol
LogP1.45
Rot. Bonds2

About CID 155601557

CID 155601557 (PubChem CID 155601557) has the molecular formula C8H8IOSi and a molecular weight of 275.14 g/mol.

Molecular Properties

Compound NameCID 155601557
PubChem CID155601557
Molecular FormulaC8H8IOSi
Molecular Weight275.14 g/mol
Exact Mass274.94
IUPAC Name—
SMILESOCc1ccc(I)c(C[Si])c1
InChIInChI=1S/C8H8IOSi/c9-8-2-1-6(4-10)3-7(8)5-11/h1-3,10H,4-5H2
InChIKeyCNQKWHGOWZNJGE-UHFFFAOYSA-N
XLogP1.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 51.45
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 155601557?
The IUPAC name of CID 155601557 (CID 155601557) is not available.
What is the SMILES notation for CID 155601557?
The canonical SMILES for CID 155601557 is OCc1ccc(I)c(C[Si])c1.
What is the InChIKey of CID 155601557?
The InChIKey is CNQKWHGOWZNJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8IOSi/c9-8-2-1-6(4-10)3-7(8)5-11/h1-3,10H,4-5H2.
What are the key properties of CID 155601557?
CID 155601557 has a molecular weight of 275.14 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155601557 is sourced from PubChem (CID 155601557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).