CID 23146730

C9H12ClO2Si — CID 23146730

IUPAC—
SMILESCO[Si](OC)c1ccccc1CCl
InChIInChI=1S/C9H12ClO2Si/c1-11-13(12-2)9-6-4-3-5-8(9)7-10/h3-6H,7H2,1-2H3
InChIKeyQFRVGIGPLSDGGE-UHFFFAOYSA-N
MW215.73 g/mol
LogP1.41
Rot. Bonds4

About CID 23146730

CID 23146730 (PubChem CID 23146730) has the molecular formula C9H12ClO2Si and a molecular weight of 215.73 g/mol.

Molecular Properties

Compound NameCID 23146730
PubChem CID23146730
Molecular FormulaC9H12ClO2Si
Molecular Weight215.73 g/mol
Exact Mass215.03
IUPAC Name—
SMILESCO[Si](OC)c1ccccc1CCl
InChIInChI=1S/C9H12ClO2Si/c1-11-13(12-2)9-6-4-3-5-8(9)7-10/h3-6H,7H2,1-2H3
InChIKeyQFRVGIGPLSDGGE-UHFFFAOYSA-N
XLogP1.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.73
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 23146730?
The IUPAC name of CID 23146730 (CID 23146730) is not available.
What is the SMILES notation for CID 23146730?
The canonical SMILES for CID 23146730 is CO[Si](OC)c1ccccc1CCl.
What is the InChIKey of CID 23146730?
The InChIKey is QFRVGIGPLSDGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClO2Si/c1-11-13(12-2)9-6-4-3-5-8(9)7-10/h3-6H,7H2,1-2H3.
What are the key properties of CID 23146730?
CID 23146730 has a molecular weight of 215.73 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23146730 is sourced from PubChem (CID 23146730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).