iodozinc(1+);methyl benzoate

C8H7IO2Zn — CID 10892780

IUPACiodozinc(1+);methyl benzoate
SMILESCOC(=O)c1[c-]cccc1.[Zn+]I
InChIInChI=1S/C8H7O2.HI.Zn/c1-10-8(9)7-5-3-2-4-6-7;;/h2-5H,1H3;1H;/q-1;;+2/p-1
InChIKeyVHQFDUOYBXJOJI-UHFFFAOYSA-M
MW327.44 g/mol
LogP2.16
Rot. Bonds1

About iodozinc(1+);methyl benzoate

iodozinc(1+);methyl benzoate (PubChem CID 10892780) has the molecular formula C8H7IO2Zn and a molecular weight of 327.44 g/mol. Its IUPAC name is iodozinc(1+);methyl benzoate.

Molecular Properties

Compound Nameiodozinc(1+);methyl benzoate
PubChem CID10892780
Molecular FormulaC8H7IO2Zn
Molecular Weight327.44 g/mol
Exact Mass325.88
IUPAC Nameiodozinc(1+);methyl benzoate
SMILESCOC(=O)c1[c-]cccc1.[Zn+]I
InChIInChI=1S/C8H7O2.HI.Zn/c1-10-8(9)7-5-3-2-4-6-7;;/h2-5H,1H3;1H;/q-1;;+2/p-1
InChIKeyVHQFDUOYBXJOJI-UHFFFAOYSA-M
XLogP2.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of iodozinc(1+);methyl benzoate?
The IUPAC name of iodozinc(1+);methyl benzoate (CID 10892780) is iodozinc(1+);methyl benzoate.
What is the SMILES notation for iodozinc(1+);methyl benzoate?
The canonical SMILES for iodozinc(1+);methyl benzoate is COC(=O)c1[c-]cccc1.[Zn+]I.
What is the InChIKey of iodozinc(1+);methyl benzoate?
The InChIKey is VHQFDUOYBXJOJI-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H7O2.HI.Zn/c1-10-8(9)7-5-3-2-4-6-7;;/h2-5H,1H3;1H;/q-1;;+2/p-1.
What are the key properties of iodozinc(1+);methyl benzoate?
iodozinc(1+);methyl benzoate has a molecular weight of 327.44 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iodozinc(1+);methyl benzoate is sourced from PubChem (CID 10892780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).