cadmium(2+);bis(2,3-diiodopropanoate)

C6H6CdI4O4 — CID 22604603

IUPACcadmium(2+);bis(2,3-diiodopropanoate)
SMILESO=C([O-])C(I)CI.O=C([O-])C(I)CI.[Cd+2]
InChIInChI=1S/2C3H4I2O2.Cd/c2*4-1-2(5)3(6)7;/h2*2H,1H2,(H,6,7);/q;;+2/p-2
InChIKeyXPHUGBBWEFPBNG-UHFFFAOYSA-L
MW762.14 g/mol
LogP-0.05
Rot. Bonds4

About cadmium(2+);bis(2,3-diiodopropanoate)

cadmium(2+);bis(2,3-diiodopropanoate) (PubChem CID 22604603) has the molecular formula C6H6CdI4O4 and a molecular weight of 762.14 g/mol. Its IUPAC name is cadmium(2+);bis(2,3-diiodopropanoate).

Molecular Properties

Compound Namecadmium(2+);bis(2,3-diiodopropanoate)
PubChem CID22604603
Molecular FormulaC6H6CdI4O4
Molecular Weight762.14 g/mol
Exact Mass763.55
IUPAC Namecadmium(2+);bis(2,3-diiodopropanoate)
SMILESO=C([O-])C(I)CI.O=C([O-])C(I)CI.[Cd+2]
InChIInChI=1S/2C3H4I2O2.Cd/c2*4-1-2(5)3(6)7;/h2*2H,1H2,(H,6,7);/q;;+2/p-2
InChIKeyXPHUGBBWEFPBNG-UHFFFAOYSA-L
XLogP-0.05
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500762.14
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2,3-diiodopropanoate
CID 155784790
2-iodopent-4-enoate
CID 18921929
3-iodo-2-methylpropanoate
CID 19426736
sodium 2-iodododecanoate
CID 141360253
sodium 2-iodononanoate
CID 141360284
potassium 2-iodononanoate
CID 141360310
calcium bis(2-iodopropanoate)
CID 88606274
lithium 2-iodoacetate
CID 23677321
potassium 2,2-dinitroacetate
CID 23331485
magnesium 2-ethylpropanedioate
CID 22261989
cadmium(2+);bis(2,3-dihydroxypropanoate)
CID 175584526
magnesium;disodium;2,3-dihydroxybutanedioate;(2R,3R)-2,3-dihydroxybutanedioate
CID 6452716

Frequently Asked Questions

What is the IUPAC name of cadmium(2+);bis(2,3-diiodopropanoate)?
The IUPAC name of cadmium(2+);bis(2,3-diiodopropanoate) (CID 22604603) is cadmium(2+);bis(2,3-diiodopropanoate).
What is the SMILES notation for cadmium(2+);bis(2,3-diiodopropanoate)?
The canonical SMILES for cadmium(2+);bis(2,3-diiodopropanoate) is O=C([O-])C(I)CI.O=C([O-])C(I)CI.[Cd+2].
What is the InChIKey of cadmium(2+);bis(2,3-diiodopropanoate)?
The InChIKey is XPHUGBBWEFPBNG-UHFFFAOYSA-L. The full InChI is InChI=1S/2C3H4I2O2.Cd/c2*4-1-2(5)3(6)7;/h2*2H,1H2,(H,6,7);/q;;+2/p-2.
What are the key properties of cadmium(2+);bis(2,3-diiodopropanoate)?
cadmium(2+);bis(2,3-diiodopropanoate) has a molecular weight of 762.14 g/mol, XLogP of -0.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cadmium(2+);bis(2,3-diiodopropanoate) is sourced from PubChem (CID 22604603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).