CID 11564552

C5H8BrSi — CID 11564552

IUPAC—
SMILESC[Si](C)C#CCBr
InChIInChI=1S/C5H8BrSi/c1-7(2)5-3-4-6/h4H2,1-2H3
InChIKeyGCHJYYIAHHOZHM-UHFFFAOYSA-N
MW176.11 g/mol
LogP1.68
Rot. Bonds

About CID 11564552

CID 11564552 (PubChem CID 11564552) has the molecular formula C5H8BrSi and a molecular weight of 176.11 g/mol.

Molecular Properties

Compound NameCID 11564552
PubChem CID11564552
Molecular FormulaC5H8BrSi
Molecular Weight176.11 g/mol
Exact Mass174.96
IUPAC Name—
SMILESC[Si](C)C#CCBr
InChIInChI=1S/C5H8BrSi/c1-7(2)5-3-4-6/h4H2,1-2H3
InChIKeyGCHJYYIAHHOZHM-UHFFFAOYSA-N
XLogP1.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.11
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 11564552?
The IUPAC name of CID 11564552 (CID 11564552) is not available.
What is the SMILES notation for CID 11564552?
The canonical SMILES for CID 11564552 is C[Si](C)C#CCBr.
What is the InChIKey of CID 11564552?
The InChIKey is GCHJYYIAHHOZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BrSi/c1-7(2)5-3-4-6/h4H2,1-2H3.
What are the key properties of CID 11564552?
CID 11564552 has a molecular weight of 176.11 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11564552 is sourced from PubChem (CID 11564552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).