bromozinc(1+);1-methoxyprop-1-en-1-olate

C4H7BrO2Zn — CID 85442673

IUPACbromozinc(1+);1-methoxyprop-1-en-1-olate
SMILESCC=C([O-])OC.[Zn+]Br
InChIInChI=1S/C4H8O2.BrH.Zn/c1-3-4(5)6-2;;/h3,5H,1-2H3;1H;/q;;+2/p-2
InChIKeyTXHWXFQZGBVIBC-UHFFFAOYSA-L
MW232.39 g/mol
LogP0.70
Rot. Bonds1

About bromozinc(1+);1-methoxyprop-1-en-1-olate

bromozinc(1+);1-methoxyprop-1-en-1-olate (PubChem CID 85442673) has the molecular formula C4H7BrO2Zn and a molecular weight of 232.39 g/mol. Its IUPAC name is bromozinc(1+);1-methoxyprop-1-en-1-olate.

Molecular Properties

Compound Namebromozinc(1+);1-methoxyprop-1-en-1-olate
PubChem CID85442673
Molecular FormulaC4H7BrO2Zn
Molecular Weight232.39 g/mol
Exact Mass229.89
IUPAC Namebromozinc(1+);1-methoxyprop-1-en-1-olate
SMILESCC=C([O-])OC.[Zn+]Br
InChIInChI=1S/C4H8O2.BrH.Zn/c1-3-4(5)6-2;;/h3,5H,1-2H3;1H;/q;;+2/p-2
InChIKeyTXHWXFQZGBVIBC-UHFFFAOYSA-L
XLogP0.70
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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+);1-methoxyprop-1-en-1-olate?
The IUPAC name of bromozinc(1+);1-methoxyprop-1-en-1-olate (CID 85442673) is bromozinc(1+);1-methoxyprop-1-en-1-olate.
What is the SMILES notation for bromozinc(1+);1-methoxyprop-1-en-1-olate?
The canonical SMILES for bromozinc(1+);1-methoxyprop-1-en-1-olate is CC=C([O-])OC.[Zn+]Br.
What is the InChIKey of bromozinc(1+);1-methoxyprop-1-en-1-olate?
The InChIKey is TXHWXFQZGBVIBC-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H8O2.BrH.Zn/c1-3-4(5)6-2;;/h3,5H,1-2H3;1H;/q;;+2/p-2.
What are the key properties of bromozinc(1+);1-methoxyprop-1-en-1-olate?
bromozinc(1+);1-methoxyprop-1-en-1-olate has a molecular weight of 232.39 g/mol, XLogP of 0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);1-methoxyprop-1-en-1-olate is sourced from PubChem (CID 85442673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).