bromozinc(1+);pentane

C5H11BrZn — CID 4146247

IUPACbromozinc(1+);pentane
SMILESCC[CH-]CC.[Zn+]Br
InChIInChI=1S/C5H11.BrH.Zn/c1-3-5-4-2;;/h5H,3-4H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyJLDLOWLHWKATSJ-UHFFFAOYSA-M
MW216.44 g/mol
LogP2.85
Rot. Bonds2

About bromozinc(1+);pentane

bromozinc(1+);pentane (PubChem CID 4146247) has the molecular formula C5H11BrZn and a molecular weight of 216.44 g/mol. Its IUPAC name is bromozinc(1+);pentane.

Molecular Properties

Compound Namebromozinc(1+);pentane
PubChem CID4146247
Molecular FormulaC5H11BrZn
Molecular Weight216.44 g/mol
Exact Mass213.93
IUPAC Namebromozinc(1+);pentane
SMILESCC[CH-]CC.[Zn+]Br
InChIInChI=1S/C5H11.BrH.Zn/c1-3-5-4-2;;/h5H,3-4H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyJLDLOWLHWKATSJ-UHFFFAOYSA-M
XLogP2.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.44
LogP ≤ 52.85
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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CID 59000401
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CID 90853474
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CID 59104509
1-butoxybutane;tris(vanadium)
CID 162037301
bromozinc(1+);butane
CID 5225082
heptane;zinc;hydrobromide
CID 87905208
americium;hexane
CID 163761103
zinc;heptane;bromide
CID 24942504
pentane;propane;uranium;vanadium;yttrium
CID 59660719
butane;copper(1+)
CID 12885279
heptan-3-amine;yttrium
CID 164593353

Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);pentane?
The IUPAC name of bromozinc(1+);pentane (CID 4146247) is bromozinc(1+);pentane.
What is the SMILES notation for bromozinc(1+);pentane?
The canonical SMILES for bromozinc(1+);pentane is CC[CH-]CC.[Zn+]Br.
What is the InChIKey of bromozinc(1+);pentane?
The InChIKey is JLDLOWLHWKATSJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H11.BrH.Zn/c1-3-5-4-2;;/h5H,3-4H2,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);pentane?
bromozinc(1+);pentane has a molecular weight of 216.44 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);pentane is sourced from PubChem (CID 4146247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).