bis((E)-4-oxopent-2-en-2-olate);oxovanadium(2+)

C10H14O5V — CID 6509855

IUPACbis((E)-4-oxopent-2-en-2-olate);oxovanadium(2+)
SMILESCC(=O)/C=C(\C)[O-].CC(=O)/C=C(\C)[O-].O=[V+2]
InChIInChI=1S/2C5H8O2.O.V/c2*1-4(6)3-5(2)7;;/h2*3,6H,1-2H3;;/q;;;+2/p-2/b2*4-3+;;
InChIKeyJFHJZWAQYMGNBE-XHTSQIMGSA-L
MW265.16 g/mol
LogP-0.44
Rot. Bonds2

About bis((E)-4-oxopent-2-en-2-olate);oxovanadium(2+)

bis((E)-4-oxopent-2-en-2-olate);oxovanadium(2+) (PubChem CID 6509855) has the molecular formula C10H14O5V and a molecular weight of 265.16 g/mol. Its IUPAC name is bis((E)-4-oxopent-2-en-2-olate);oxovanadium(2+).

Molecular Properties

Compound Namebis((E)-4-oxopent-2-en-2-olate);oxovanadium(2+)
PubChem CID6509855
Molecular FormulaC10H14O5V
Molecular Weight265.16 g/mol
Exact Mass265.03
IUPAC Namebis((E)-4-oxopent-2-en-2-olate);oxovanadium(2+)
SMILESCC(=O)/C=C(\C)[O-].CC(=O)/C=C(\C)[O-].O=[V+2]
InChIInChI=1S/2C5H8O2.O.V/c2*1-4(6)3-5(2)7;;/h2*3,6H,1-2H3;;/q;;;+2/p-2/b2*4-3+;;
InChIKeyJFHJZWAQYMGNBE-XHTSQIMGSA-L
XLogP-0.44
TPSA97.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.16
LogP ≤ 5-0.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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((Z)-4-oxopent-2-en-2-olate);oxovanadium(2+)
CID 5486770
aluminum tris((E)-4-oxopent-2-en-2-olate)
CID 24884163
gallium (Z)-4-oxopent-2-en-2-olate
CID 154828612
bis((Z)-4-oxopent-2-en-2-olate);palladium(2+)
CID 5486778
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
gold(1+);(Z)-4-oxopent-2-en-2-olate
CID 18374019
lanthanum(3+);tris((E)-4-oxopent-2-en-2-olate)
CID 53384561
tetrakis(4-oxopent-2-en-2-olate);thorium(4+)
CID 3035394

Frequently Asked Questions

What is the IUPAC name of bis((E)-4-oxopent-2-en-2-olate);oxovanadium(2+)?
The IUPAC name of bis((E)-4-oxopent-2-en-2-olate);oxovanadium(2+) (CID 6509855) is bis((E)-4-oxopent-2-en-2-olate);oxovanadium(2+).
What is the SMILES notation for bis((E)-4-oxopent-2-en-2-olate);oxovanadium(2+)?
The canonical SMILES for bis((E)-4-oxopent-2-en-2-olate);oxovanadium(2+) is CC(=O)/C=C(\C)[O-].CC(=O)/C=C(\C)[O-].O=[V+2].
What is the InChIKey of bis((E)-4-oxopent-2-en-2-olate);oxovanadium(2+)?
The InChIKey is JFHJZWAQYMGNBE-XHTSQIMGSA-L. The full InChI is InChI=1S/2C5H8O2.O.V/c2*1-4(6)3-5(2)7;;/h2*3,6H,1-2H3;;/q;;;+2/p-2/b2*4-3+;;.
What are the key properties of bis((E)-4-oxopent-2-en-2-olate);oxovanadium(2+)?
bis((E)-4-oxopent-2-en-2-olate);oxovanadium(2+) has a molecular weight of 265.16 g/mol, XLogP of -0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis((E)-4-oxopent-2-en-2-olate);oxovanadium(2+) is sourced from PubChem (CID 6509855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).