cadmium(2+);bis(2-chloroprop-2-enoate)

C6H4CdCl2O4 — CID 22604256

IUPACcadmium(2+);bis(2-chloroprop-2-enoate)
SMILESC=C(Cl)C(=O)[O-].C=C(Cl)C(=O)[O-].[Cd+2]
InChIInChI=1S/2C3H3ClO2.Cd/c2*1-2(4)3(5)6;/h2*1H2,(H,5,6);/q;;+2/p-2
InChIKeyYATNHDPOCZUITH-UHFFFAOYSA-L
MW323.41 g/mol
LogP-1.02
Rot. Bonds2

About cadmium(2+);bis(2-chloroprop-2-enoate)

cadmium(2+);bis(2-chloroprop-2-enoate) (PubChem CID 22604256) has the molecular formula C6H4CdCl2O4 and a molecular weight of 323.41 g/mol. Its IUPAC name is cadmium(2+);bis(2-chloroprop-2-enoate).

Molecular Properties

Compound Namecadmium(2+);bis(2-chloroprop-2-enoate)
PubChem CID22604256
Molecular FormulaC6H4CdCl2O4
Molecular Weight323.41 g/mol
Exact Mass323.85
IUPAC Namecadmium(2+);bis(2-chloroprop-2-enoate)
SMILESC=C(Cl)C(=O)[O-].C=C(Cl)C(=O)[O-].[Cd+2]
InChIInChI=1S/2C3H3ClO2.Cd/c2*1-2(4)3(5)6;/h2*1H2,(H,5,6);/q;;+2/p-2
InChIKeyYATNHDPOCZUITH-UHFFFAOYSA-L
XLogP-1.02
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 5-1.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze cadmium(2+);bis(2-chloroprop-2-enoate) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(2-chloroprop-2-enoate);iron(2+)
CID 19736162
tetrapotassium;octakis(cadmium(2+));oxalate
CID 173357268
carbonochloridic acid;prop-1-en-2-olate
CID 172743448
2-chloroprop-2-enoic acid;gallane
CID 173230752
2-methylprop-2-enoate
CID 19005746
2-chloropent-1-en-3-one
CID 12710524
bis(2-methylprop-2-enoate);samarium
CID 175299700
hexakis(2-methylprop-2-enoate);molybdenum
CID 173015670
gadolinium(3+);tris(2-methylprop-2-enoate)
CID 162156326
2-chloroprop-2-enoic acid;rutherfordium;yttrium
CID 58856303
calcium;2-methylprop-2-enoate;chloride
CID 174912380
sodium;ethene;2-methylprop-2-enoate
CID 23688925

Frequently Asked Questions

What is the IUPAC name of cadmium(2+);bis(2-chloroprop-2-enoate)?
The IUPAC name of cadmium(2+);bis(2-chloroprop-2-enoate) (CID 22604256) is cadmium(2+);bis(2-chloroprop-2-enoate).
What is the SMILES notation for cadmium(2+);bis(2-chloroprop-2-enoate)?
The canonical SMILES for cadmium(2+);bis(2-chloroprop-2-enoate) is C=C(Cl)C(=O)[O-].C=C(Cl)C(=O)[O-].[Cd+2].
What is the InChIKey of cadmium(2+);bis(2-chloroprop-2-enoate)?
The InChIKey is YATNHDPOCZUITH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C3H3ClO2.Cd/c2*1-2(4)3(5)6;/h2*1H2,(H,5,6);/q;;+2/p-2.
What are the key properties of cadmium(2+);bis(2-chloroprop-2-enoate)?
cadmium(2+);bis(2-chloroprop-2-enoate) has a molecular weight of 323.41 g/mol, XLogP of -1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cadmium(2+);bis(2-chloroprop-2-enoate) is sourced from PubChem (CID 22604256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).