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

C10H16O5V — CID 136863048

IUPACbis(4-oxopent-2-en-2-olate);vanadium(2+);hydrate
SMILESCC(=O)C=C(C)[O-].CC(=O)C=C(C)[O-].O.[V+2]
InChIInChI=1S/2C5H8O2.H2O.V/c2*1-4(6)3-5(2)7;;/h2*3,6H,1-2H3;1H2;/q;;;+2/p-2
InChIKeyDKHLKZMCKOJMTD-UHFFFAOYSA-L
MW267.18 g/mol
LogP-1.15
Rot. Bonds2

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

bis(4-oxopent-2-en-2-olate);vanadium(2+);hydrate (PubChem CID 136863048) has the molecular formula C10H16O5V and a molecular weight of 267.18 g/mol. Its IUPAC name is bis(4-oxopent-2-en-2-olate);vanadium(2+);hydrate.

Molecular Properties

Compound Namebis(4-oxopent-2-en-2-olate);vanadium(2+);hydrate
PubChem CID136863048
Molecular FormulaC10H16O5V
Molecular Weight267.18 g/mol
Exact Mass267.04
IUPAC Namebis(4-oxopent-2-en-2-olate);vanadium(2+);hydrate
SMILESCC(=O)C=C(C)[O-].CC(=O)C=C(C)[O-].O.[V+2]
InChIInChI=1S/2C5H8O2.H2O.V/c2*1-4(6)3-5(2)7;;/h2*3,6H,1-2H3;1H2;/q;;;+2/p-2
InChIKeyDKHLKZMCKOJMTD-UHFFFAOYSA-L
XLogP-1.15
TPSA111.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.18
LogP ≤ 5-1.15
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((Z)-4-oxopent-2-en-2-olate);vanadium(2+);dihydrochloride
CID 170844350
(Z)-4-oxopent-2-en-2-olate;yttrium(3+);trihydrate
CID 18003156
magnesium;bis((Z)-4-oxopent-2-en-2-olate);hydrate
CID 133109982
europium(3+);tris(4-oxopent-2-en-2-olate);hydrate
CID 162394300
europium(3+);tris((Z)-4-oxopent-2-en-2-olate);hydrate
CID 131675702
indium(3+);tris(4-oxopent-2-en-2-olate)
CID 26667
tris((Z)-4-oxopent-2-en-2-olate);platinum
CID 173155948
osmium(2+);bis((Z)-4-oxopent-2-en-2-olate)
CID 22026952
tris((Z)-4-oxopent-2-en-2-olate);ytterbium(3+)
CID 14455610
bis((Z)-4-oxopent-2-en-2-olate);platinum(2+)
CID 5483736
aluminum tris((E)-4-oxopent-2-en-2-olate)
CID 24884163
gallium (Z)-4-oxopent-2-en-2-olate
CID 154828612

Frequently Asked Questions

What is the IUPAC name of bis(4-oxopent-2-en-2-olate);vanadium(2+);hydrate?
The IUPAC name of bis(4-oxopent-2-en-2-olate);vanadium(2+);hydrate (CID 136863048) is bis(4-oxopent-2-en-2-olate);vanadium(2+);hydrate.
What is the SMILES notation for bis(4-oxopent-2-en-2-olate);vanadium(2+);hydrate?
The canonical SMILES for bis(4-oxopent-2-en-2-olate);vanadium(2+);hydrate is CC(=O)C=C(C)[O-].CC(=O)C=C(C)[O-].O.[V+2].
What is the InChIKey of bis(4-oxopent-2-en-2-olate);vanadium(2+);hydrate?
The InChIKey is DKHLKZMCKOJMTD-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H8O2.H2O.V/c2*1-4(6)3-5(2)7;;/h2*3,6H,1-2H3;1H2;/q;;;+2/p-2.
What are the key properties of bis(4-oxopent-2-en-2-olate);vanadium(2+);hydrate?
bis(4-oxopent-2-en-2-olate);vanadium(2+);hydrate has a molecular weight of 267.18 g/mol, XLogP of -1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-oxopent-2-en-2-olate);vanadium(2+);hydrate is sourced from PubChem (CID 136863048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).