CID 21332562

CH3BrOSi — CID 21332562

IUPAC—
SMILESCO[Si]Br
InChIInChI=1S/CH3BrOSi/c1-3-4-2/h1H3
InChIKeyVLOSFUQROGRURL-UHFFFAOYSA-N
MW139.02 g/mol
LogP0.56
Rot. Bonds1

About CID 21332562

CID 21332562 (PubChem CID 21332562) has the molecular formula CH3BrOSi and a molecular weight of 139.02 g/mol.

Molecular Properties

Compound NameCID 21332562
PubChem CID21332562
Molecular FormulaCH3BrOSi
Molecular Weight139.02 g/mol
Exact Mass137.91
IUPAC Name—
SMILESCO[Si]Br
InChIInChI=1S/CH3BrOSi/c1-3-4-2/h1H3
InChIKeyVLOSFUQROGRURL-UHFFFAOYSA-N
XLogP0.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.02
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 21332562?
The IUPAC name of CID 21332562 (CID 21332562) is not available.
What is the SMILES notation for CID 21332562?
The canonical SMILES for CID 21332562 is CO[Si]Br.
What is the InChIKey of CID 21332562?
The InChIKey is VLOSFUQROGRURL-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3BrOSi/c1-3-4-2/h1H3.
What are the key properties of CID 21332562?
CID 21332562 has a molecular weight of 139.02 g/mol, XLogP of 0.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21332562 is sourced from PubChem (CID 21332562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).