cadmium(2+);hexanedioate

C6H8CdO4 — CID 19376883

IUPACcadmium(2+);hexanedioate
SMILESO=C([O-])CCCCC(=O)[O-].[Cd+2]
InChIInChI=1S/C6H10O4.Cd/c7-5(8)3-1-2-4-6(9)10;/h1-4H2,(H,7,8)(H,9,10);/q;+2/p-2
InChIKeyOLNRYKRSAMYMLK-UHFFFAOYSA-L
MW256.54 g/mol
LogP-1.96
Rot. Bonds5

About cadmium(2+);hexanedioate

cadmium(2+);hexanedioate (PubChem CID 19376883) has the molecular formula C6H8CdO4 and a molecular weight of 256.54 g/mol. Its IUPAC name is cadmium(2+);hexanedioate.

Molecular Properties

Compound Namecadmium(2+);hexanedioate
PubChem CID19376883
Molecular FormulaC6H8CdO4
Molecular Weight256.54 g/mol
Exact Mass257.95
IUPAC Namecadmium(2+);hexanedioate
SMILESO=C([O-])CCCCC(=O)[O-].[Cd+2]
InChIInChI=1S/C6H10O4.Cd/c7-5(8)3-1-2-4-6(9)10;/h1-4H2,(H,7,8)(H,9,10);/q;+2/p-2
InChIKeyOLNRYKRSAMYMLK-UHFFFAOYSA-L
XLogP-1.96
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.54
LogP ≤ 5-1.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cadmium(2+);pentanedioate
CID 19376914
magnesium hexanedioate
CID 24074
strontium hexanedioate
CID 134687758
tridecanedioate
CID 6994474
dipotassium;octadecanedioate
CID 141466899
disodium;undecanedioate
CID 15107599
calcium decanedioate
CID 11637296
decanedioate dichloride
CID 21256251
dibismuth;tris(nonanedioate)
CID 173224370
lithium;hexanedioate;hydron
CID 87066964
calcium heptanedioate
CID 71587031
calcium undecanedioate
CID 140969229

Frequently Asked Questions

What is the IUPAC name of cadmium(2+);hexanedioate?
The IUPAC name of cadmium(2+);hexanedioate (CID 19376883) is cadmium(2+);hexanedioate.
What is the SMILES notation for cadmium(2+);hexanedioate?
The canonical SMILES for cadmium(2+);hexanedioate is O=C([O-])CCCCC(=O)[O-].[Cd+2].
What is the InChIKey of cadmium(2+);hexanedioate?
The InChIKey is OLNRYKRSAMYMLK-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H10O4.Cd/c7-5(8)3-1-2-4-6(9)10;/h1-4H2,(H,7,8)(H,9,10);/q;+2/p-2.
What are the key properties of cadmium(2+);hexanedioate?
cadmium(2+);hexanedioate has a molecular weight of 256.54 g/mol, XLogP of -1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cadmium(2+);hexanedioate is sourced from PubChem (CID 19376883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).