bis((Z)-4-oxopent-2-en-2-olate);vanadium(2+);dihydrochloride

C10H16Cl2O4V — CID 170844350

IUPACbis((Z)-4-oxopent-2-en-2-olate);vanadium(2+);dihydrochloride
SMILESCC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].Cl.Cl.[V+2]
InChIInChI=1S/2C5H8O2.2ClH.V/c2*1-4(6)3-5(2)7;;;/h2*3,6H,1-2H3;2*1H;/q;;;;+2/p-2/b2*4-3-;;;
InChIKeyACFFEBGPBPYVFR-VGKOASNMSA-L
MW322.08 g/mol
LogP0.52
Rot. Bonds2

About bis((Z)-4-oxopent-2-en-2-olate);vanadium(2+);dihydrochloride

bis((Z)-4-oxopent-2-en-2-olate);vanadium(2+);dihydrochloride (PubChem CID 170844350) has the molecular formula C10H16Cl2O4V and a molecular weight of 322.08 g/mol. Its IUPAC name is bis((Z)-4-oxopent-2-en-2-olate);vanadium(2+);dihydrochloride.

Molecular Properties

Compound Namebis((Z)-4-oxopent-2-en-2-olate);vanadium(2+);dihydrochloride
PubChem CID170844350
Molecular FormulaC10H16Cl2O4V
Molecular Weight322.08 g/mol
Exact Mass320.99
IUPAC Namebis((Z)-4-oxopent-2-en-2-olate);vanadium(2+);dihydrochloride
SMILESCC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].Cl.Cl.[V+2]
InChIInChI=1S/2C5H8O2.2ClH.V/c2*1-4(6)3-5(2)7;;;/h2*3,6H,1-2H3;2*1H;/q;;;;+2/p-2/b2*4-3-;;;
InChIKeyACFFEBGPBPYVFR-VGKOASNMSA-L
XLogP0.52
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.08
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

bis(4-oxopent-2-en-2-olate);vanadium(2+);hydrate
CID 136863048
bis((Z)-4-oxopent-2-en-2-olate);palladium(2+)
CID 5486778
gallium (Z)-4-oxopent-2-en-2-olate
CID 154828612
aluminum tris((E)-4-oxopent-2-en-2-olate)
CID 24884163
tris((Z)-4-oxopent-2-en-2-olate);platinum
CID 173155948
indium(3+);tris(4-oxopent-2-en-2-olate)
CID 26667
osmium(2+);bis((Z)-4-oxopent-2-en-2-olate)
CID 22026952
bis((Z)-4-oxopent-2-en-2-olate);platinum(2+)
CID 5483736
tris((Z)-4-oxopent-2-en-2-olate);ytterbium(3+)
CID 14455610
lanthanum(3+);tris((E)-4-oxopent-2-en-2-olate)
CID 53384561
gold(1+);(Z)-4-oxopent-2-en-2-olate
CID 18374019
tetrakis(4-oxopent-2-en-2-olate);thorium(4+)
CID 3035394

Frequently Asked Questions

What is the IUPAC name of bis((Z)-4-oxopent-2-en-2-olate);vanadium(2+);dihydrochloride?
The IUPAC name of bis((Z)-4-oxopent-2-en-2-olate);vanadium(2+);dihydrochloride (CID 170844350) is bis((Z)-4-oxopent-2-en-2-olate);vanadium(2+);dihydrochloride.
What is the SMILES notation for bis((Z)-4-oxopent-2-en-2-olate);vanadium(2+);dihydrochloride?
The canonical SMILES for bis((Z)-4-oxopent-2-en-2-olate);vanadium(2+);dihydrochloride is CC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].Cl.Cl.[V+2].
What is the InChIKey of bis((Z)-4-oxopent-2-en-2-olate);vanadium(2+);dihydrochloride?
The InChIKey is ACFFEBGPBPYVFR-VGKOASNMSA-L. The full InChI is InChI=1S/2C5H8O2.2ClH.V/c2*1-4(6)3-5(2)7;;;/h2*3,6H,1-2H3;2*1H;/q;;;;+2/p-2/b2*4-3-;;;.
What are the key properties of bis((Z)-4-oxopent-2-en-2-olate);vanadium(2+);dihydrochloride?
bis((Z)-4-oxopent-2-en-2-olate);vanadium(2+);dihydrochloride has a molecular weight of 322.08 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis((Z)-4-oxopent-2-en-2-olate);vanadium(2+);dihydrochloride is sourced from PubChem (CID 170844350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).