cadmium(2+);bis(hexa-2,4-dienoate)

C12H14CdO4 — CID 159713747

IUPACcadmium(2+);bis(hexa-2,4-dienoate)
SMILESCC=CC=CC(=O)[O-].CC=CC=CC(=O)[O-].[Cd+2]
InChIInChI=1S/2C6H8O2.Cd/c2*1-2-3-4-5-6(7)8;/h2*2-5H,1H3,(H,7,8);/q;;+2/p-2
InChIKeyMZDYTAREBXNADB-UHFFFAOYSA-L
MW334.65 g/mol
LogP-0.27
Rot. Bonds4

About cadmium(2+);bis(hexa-2,4-dienoate)

cadmium(2+);bis(hexa-2,4-dienoate) (PubChem CID 159713747) has the molecular formula C12H14CdO4 and a molecular weight of 334.65 g/mol. Its IUPAC name is cadmium(2+);bis(hexa-2,4-dienoate).

Molecular Properties

Compound Namecadmium(2+);bis(hexa-2,4-dienoate)
PubChem CID159713747
Molecular FormulaC12H14CdO4
Molecular Weight334.65 g/mol
Exact Mass335.99
IUPAC Namecadmium(2+);bis(hexa-2,4-dienoate)
SMILESCC=CC=CC(=O)[O-].CC=CC=CC(=O)[O-].[Cd+2]
InChIInChI=1S/2C6H8O2.Cd/c2*1-2-3-4-5-6(7)8;/h2*2-5H,1H3,(H,7,8);/q;;+2/p-2
InChIKeyMZDYTAREBXNADB-UHFFFAOYSA-L
XLogP-0.27
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.65
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dicalcium;tetrakis((2E,4E)-hexa-2,4-dienoate)
CID 157350399
trisodium;tris((2E,4E)-hexa-2,4-dienoate)
CID 175798878
copper bis((2E,4E)-hexa-2,4-dienoate)
CID 6436412
potassium;disodium;tris(hexa-2,4-dienoate)
CID 160514983
potassium;benzene;(2E,4E)-hexa-2,4-dienoate
CID 174738022
calcium;bis(hexa-2,4-dienoate);hexa-2,4-dienoic acid
CID 173392539
calcium;ethanol;bis((2E,4E)-hexa-2,4-dienoate)
CID 157318732
dipotassium;bis((2E,4E)-hexa-2,4-dienoate);(2E,4E)-hexa-2,4-dienoic acid
CID 160911616
tetrapotassium;hexa-2,4-dienoate;phosphate
CID 173339817
potassium;ethane-1,2-diol;(2E,4E)-hexa-2,4-dienoate
CID 87530861
potassium;sodium;hexa-2,4-dienoate;hydrogen sulfite
CID 173048843
potassium;hexa-2,4-dienoate;propanoic acid
CID 161130297

Frequently Asked Questions

What is the IUPAC name of cadmium(2+);bis(hexa-2,4-dienoate)?
The IUPAC name of cadmium(2+);bis(hexa-2,4-dienoate) (CID 159713747) is cadmium(2+);bis(hexa-2,4-dienoate).
What is the SMILES notation for cadmium(2+);bis(hexa-2,4-dienoate)?
The canonical SMILES for cadmium(2+);bis(hexa-2,4-dienoate) is CC=CC=CC(=O)[O-].CC=CC=CC(=O)[O-].[Cd+2].
What is the InChIKey of cadmium(2+);bis(hexa-2,4-dienoate)?
The InChIKey is MZDYTAREBXNADB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H8O2.Cd/c2*1-2-3-4-5-6(7)8;/h2*2-5H,1H3,(H,7,8);/q;;+2/p-2.
What are the key properties of cadmium(2+);bis(hexa-2,4-dienoate)?
cadmium(2+);bis(hexa-2,4-dienoate) has a molecular weight of 334.65 g/mol, XLogP of -0.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cadmium(2+);bis(hexa-2,4-dienoate) is sourced from PubChem (CID 159713747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).