zinc;butane;hydrobromide

C8H19BrZn — CID 172807669

IUPACzinc;butane;hydrobromide
SMILESBr.[CH2-]CCC.[CH2-]CCC.[Zn+2]
InChIInChI=1S/2C4H9.BrH.Zn/c2*1-3-4-2;;/h2*1,3-4H2,2H3;1H;/q2*-1;;+2
InChIKeyFHUXQNHHRIKRLU-UHFFFAOYSA-N
MW260.53 g/mol
LogP3.82
Rot. Bonds2

About zinc;butane;hydrobromide

zinc;butane;hydrobromide (PubChem CID 172807669) has the molecular formula C8H19BrZn and a molecular weight of 260.53 g/mol. Its IUPAC name is zinc;butane;hydrobromide.

Molecular Properties

Compound Namezinc;butane;hydrobromide
PubChem CID172807669
Molecular FormulaC8H19BrZn
Molecular Weight260.53 g/mol
Exact Mass258.00
IUPAC Namezinc;butane;hydrobromide
SMILESBr.[CH2-]CCC.[CH2-]CCC.[Zn+2]
InChIInChI=1S/2C4H9.BrH.Zn/c2*1-3-4-2;;/h2*1,3-4H2,2H3;1H;/q2*-1;;+2
InChIKeyFHUXQNHHRIKRLU-UHFFFAOYSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.53
LogP ≤ 53.82
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of zinc;butane;hydrobromide?
The IUPAC name of zinc;butane;hydrobromide (CID 172807669) is zinc;butane;hydrobromide.
What is the SMILES notation for zinc;butane;hydrobromide?
The canonical SMILES for zinc;butane;hydrobromide is Br.[CH2-]CCC.[CH2-]CCC.[Zn+2].
What is the InChIKey of zinc;butane;hydrobromide?
The InChIKey is FHUXQNHHRIKRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9.BrH.Zn/c2*1-3-4-2;;/h2*1,3-4H2,2H3;1H;/q2*-1;;+2.
What are the key properties of zinc;butane;hydrobromide?
zinc;butane;hydrobromide has a molecular weight of 260.53 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;butane;hydrobromide is sourced from PubChem (CID 172807669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).