CID 23499942

C9H9ClSi — CID 23499942

IUPAC—
SMILESC=Cc1ccccc1C[Si]Cl
InChIInChI=1S/C9H9ClSi/c1-2-8-5-3-4-6-9(8)7-11-10/h2-6H,1,7H2
InChIKeyFOYJYSUFPLNVNA-UHFFFAOYSA-N
MW180.71 g/mol
LogP2.69
Rot. Bonds3

About CID 23499942

CID 23499942 (PubChem CID 23499942) has the molecular formula C9H9ClSi and a molecular weight of 180.71 g/mol.

Molecular Properties

Compound NameCID 23499942
PubChem CID23499942
Molecular FormulaC9H9ClSi
Molecular Weight180.71 g/mol
Exact Mass180.02
IUPAC Name—
SMILESC=Cc1ccccc1C[Si]Cl
InChIInChI=1S/C9H9ClSi/c1-2-8-5-3-4-6-9(8)7-11-10/h2-6H,1,7H2
InChIKeyFOYJYSUFPLNVNA-UHFFFAOYSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.71
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 23499942?
The IUPAC name of CID 23499942 (CID 23499942) is not available.
What is the SMILES notation for CID 23499942?
The canonical SMILES for CID 23499942 is C=Cc1ccccc1C[Si]Cl.
What is the InChIKey of CID 23499942?
The InChIKey is FOYJYSUFPLNVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClSi/c1-2-8-5-3-4-6-9(8)7-11-10/h2-6H,1,7H2.
What are the key properties of CID 23499942?
CID 23499942 has a molecular weight of 180.71 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23499942 is sourced from PubChem (CID 23499942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).