bromozinc(1+);butane

C4H9BrZn — CID 5225082

IUPACbromozinc(1+);butane
SMILES[CH2-]CCC.[Zn+]Br
InChIInChI=1S/C4H9.BrH.Zn/c1-3-4-2;;/h1,3-4H2,2H3;1H;/q-1;;+2/p-1
InChIKeyPRWJKDARXFAPOY-UHFFFAOYSA-M
MW202.41 g/mol
LogP2.46
Rot. Bonds1

About bromozinc(1+);butane

bromozinc(1+);butane (PubChem CID 5225082) has the molecular formula C4H9BrZn and a molecular weight of 202.41 g/mol. Its IUPAC name is bromozinc(1+);butane.

Molecular Properties

Compound Namebromozinc(1+);butane
PubChem CID5225082
Molecular FormulaC4H9BrZn
Molecular Weight202.41 g/mol
Exact Mass199.92
IUPAC Namebromozinc(1+);butane
SMILES[CH2-]CCC.[Zn+]Br
InChIInChI=1S/C4H9.BrH.Zn/c1-3-4-2;;/h1,3-4H2,2H3;1H;/q-1;;+2/p-1
InChIKeyPRWJKDARXFAPOY-UHFFFAOYSA-M
XLogP2.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.41
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);butane?
The IUPAC name of bromozinc(1+);butane (CID 5225082) is bromozinc(1+);butane.
What is the SMILES notation for bromozinc(1+);butane?
The canonical SMILES for bromozinc(1+);butane is [CH2-]CCC.[Zn+]Br.
What is the InChIKey of bromozinc(1+);butane?
The InChIKey is PRWJKDARXFAPOY-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9.BrH.Zn/c1-3-4-2;;/h1,3-4H2,2H3;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);butane?
bromozinc(1+);butane has a molecular weight of 202.41 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);butane is sourced from PubChem (CID 5225082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).