CID 23146452

C11H16BrO2Si — CID 23146452

IUPAC—
SMILESCCO[Si](OCC)c1ccccc1CBr
InChIInChI=1S/C11H16BrO2Si/c1-3-13-15(14-4-2)11-8-6-5-7-10(11)9-12/h5-8H,3-4,9H2,1-2H3
InChIKeyJHPBGVYQTHUVGP-UHFFFAOYSA-N
MW288.24 g/mol
LogP2.35
Rot. Bonds6

About CID 23146452

CID 23146452 (PubChem CID 23146452) has the molecular formula C11H16BrO2Si and a molecular weight of 288.24 g/mol.

Molecular Properties

Compound NameCID 23146452
PubChem CID23146452
Molecular FormulaC11H16BrO2Si
Molecular Weight288.24 g/mol
Exact Mass287.01
IUPAC Name—
SMILESCCO[Si](OCC)c1ccccc1CBr
InChIInChI=1S/C11H16BrO2Si/c1-3-13-15(14-4-2)11-8-6-5-7-10(11)9-12/h5-8H,3-4,9H2,1-2H3
InChIKeyJHPBGVYQTHUVGP-UHFFFAOYSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.24
LogP ≤ 52.35
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 23146452?
The IUPAC name of CID 23146452 (CID 23146452) is not available.
What is the SMILES notation for CID 23146452?
The canonical SMILES for CID 23146452 is CCO[Si](OCC)c1ccccc1CBr.
What is the InChIKey of CID 23146452?
The InChIKey is JHPBGVYQTHUVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrO2Si/c1-3-13-15(14-4-2)11-8-6-5-7-10(11)9-12/h5-8H,3-4,9H2,1-2H3.
What are the key properties of CID 23146452?
CID 23146452 has a molecular weight of 288.24 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23146452 is sourced from PubChem (CID 23146452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).