CID 139637936

C4H10BrO2Si — CID 139637936

IUPAC—
SMILESCCO[Si](Br)OCC
InChIInChI=1S/C4H10BrO2Si/c1-3-6-8(5)7-4-2/h3-4H2,1-2H3
InChIKeyUPUVUKBQLOKQPY-UHFFFAOYSA-N
MW198.11 g/mol
LogP1.44
Rot. Bonds4

About CID 139637936

CID 139637936 (PubChem CID 139637936) has the molecular formula C4H10BrO2Si and a molecular weight of 198.11 g/mol.

Molecular Properties

Compound NameCID 139637936
PubChem CID139637936
Molecular FormulaC4H10BrO2Si
Molecular Weight198.11 g/mol
Exact Mass196.96
IUPAC Name—
SMILESCCO[Si](Br)OCC
InChIInChI=1S/C4H10BrO2Si/c1-3-6-8(5)7-4-2/h3-4H2,1-2H3
InChIKeyUPUVUKBQLOKQPY-UHFFFAOYSA-N
XLogP1.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.11
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 139637936?
The IUPAC name of CID 139637936 (CID 139637936) is not available.
What is the SMILES notation for CID 139637936?
The canonical SMILES for CID 139637936 is CCO[Si](Br)OCC.
What is the InChIKey of CID 139637936?
The InChIKey is UPUVUKBQLOKQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10BrO2Si/c1-3-6-8(5)7-4-2/h3-4H2,1-2H3.
What are the key properties of CID 139637936?
CID 139637936 has a molecular weight of 198.11 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139637936 is sourced from PubChem (CID 139637936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).