CID 22644067

C8H16BrO2Si — CID 22644067

IUPAC—
SMILESCC(C)OC([Si])(CBr)OC(C)C
InChIInChI=1S/C8H16BrO2Si/c1-6(2)10-8(12,5-9)11-7(3)4/h6-7H,5H2,1-4H3
InChIKeyWCGFLCZDCIMVJG-UHFFFAOYSA-N
MW252.20 g/mol
LogP2.05
Rot. Bonds5

About CID 22644067

CID 22644067 (PubChem CID 22644067) has the molecular formula C8H16BrO2Si and a molecular weight of 252.20 g/mol.

Molecular Properties

Compound NameCID 22644067
PubChem CID22644067
Molecular FormulaC8H16BrO2Si
Molecular Weight252.20 g/mol
Exact Mass251.01
IUPAC Name—
SMILESCC(C)OC([Si])(CBr)OC(C)C
InChIInChI=1S/C8H16BrO2Si/c1-6(2)10-8(12,5-9)11-7(3)4/h6-7H,5H2,1-4H3
InChIKeyWCGFLCZDCIMVJG-UHFFFAOYSA-N
XLogP2.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 52.05
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 22644067?
The IUPAC name of CID 22644067 (CID 22644067) is not available.
What is the SMILES notation for CID 22644067?
The canonical SMILES for CID 22644067 is CC(C)OC([Si])(CBr)OC(C)C.
What is the InChIKey of CID 22644067?
The InChIKey is WCGFLCZDCIMVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrO2Si/c1-6(2)10-8(12,5-9)11-7(3)4/h6-7H,5H2,1-4H3.
What are the key properties of CID 22644067?
CID 22644067 has a molecular weight of 252.20 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22644067 is sourced from PubChem (CID 22644067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).