cadmium(2+);pentanedioate

C5H6CdO4 — CID 19376914

IUPACcadmium(2+);pentanedioate
SMILESO=C([O-])CCCC(=O)[O-].[Cd+2]
InChIInChI=1S/C5H8O4.Cd/c6-4(7)2-1-3-5(8)9;/h1-3H2,(H,6,7)(H,8,9);/q;+2/p-2
InChIKeyZHALGQWYJAGFHI-UHFFFAOYSA-L
MW242.51 g/mol
LogP-2.35
Rot. Bonds4

About cadmium(2+);pentanedioate

cadmium(2+);pentanedioate (PubChem CID 19376914) has the molecular formula C5H6CdO4 and a molecular weight of 242.51 g/mol. Its IUPAC name is cadmium(2+);pentanedioate.

Molecular Properties

Compound Namecadmium(2+);pentanedioate
PubChem CID19376914
Molecular FormulaC5H6CdO4
Molecular Weight242.51 g/mol
Exact Mass243.93
IUPAC Namecadmium(2+);pentanedioate
SMILESO=C([O-])CCCC(=O)[O-].[Cd+2]
InChIInChI=1S/C5H8O4.Cd/c6-4(7)2-1-3-5(8)9;/h1-3H2,(H,6,7)(H,8,9);/q;+2/p-2
InChIKeyZHALGQWYJAGFHI-UHFFFAOYSA-L
XLogP-2.35
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.51
LogP ≤ 5-2.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cadmium(2+);hexanedioate
CID 19376883
bis(antimony(3+));tris(pentanedioate)
CID 19376891
disodium;pentanedioate;hydrochloride
CID 175525255
magnesium hexanedioate
CID 24074
strontium hexanedioate
CID 134687758
tridecanedioate
CID 6994474
disodium;undecanedioate
CID 15107599
dipotassium;octadecanedioate
CID 141466899
calcium decanedioate
CID 11637296
decanedioate dichloride
CID 21256251
dibismuth;tris(nonanedioate)
CID 173224370
lithium;hexanedioate;hydron
CID 87066964

Frequently Asked Questions

What is the IUPAC name of cadmium(2+);pentanedioate?
The IUPAC name of cadmium(2+);pentanedioate (CID 19376914) is cadmium(2+);pentanedioate.
What is the SMILES notation for cadmium(2+);pentanedioate?
The canonical SMILES for cadmium(2+);pentanedioate is O=C([O-])CCCC(=O)[O-].[Cd+2].
What is the InChIKey of cadmium(2+);pentanedioate?
The InChIKey is ZHALGQWYJAGFHI-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H8O4.Cd/c6-4(7)2-1-3-5(8)9;/h1-3H2,(H,6,7)(H,8,9);/q;+2/p-2.
What are the key properties of cadmium(2+);pentanedioate?
cadmium(2+);pentanedioate has a molecular weight of 242.51 g/mol, XLogP of -2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cadmium(2+);pentanedioate is sourced from PubChem (CID 19376914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).