bis(2-methyl-4-oxopyran-3-olate);oxovanadium(2+)

C12H10O7V — CID 3035454

IUPACbis(2-methyl-4-oxopyran-3-olate);oxovanadium(2+)
SMILESCc1occc(=O)c1[O-].Cc1occc(=O)c1[O-].O=[V+2]
InChIInChI=1S/2C6H6O3.O.V/c2*1-4-6(8)5(7)2-3-9-4;;/h2*2-3,8H,1H3;;/q;;;+2/p-2
InChIKeyXUOLEICXAPEOSI-UHFFFAOYSA-L
MW317.15 g/mol
LogP-0.08
Rot. Bonds

About bis(2-methyl-4-oxopyran-3-olate);oxovanadium(2+)

bis(2-methyl-4-oxopyran-3-olate);oxovanadium(2+) (PubChem CID 3035454) has the molecular formula C12H10O7V and a molecular weight of 317.15 g/mol. Its IUPAC name is bis(2-methyl-4-oxopyran-3-olate);oxovanadium(2+).

Molecular Properties

Compound Namebis(2-methyl-4-oxopyran-3-olate);oxovanadium(2+)
PubChem CID3035454
Molecular FormulaC12H10O7V
Molecular Weight317.15 g/mol
Exact Mass316.99
IUPAC Namebis(2-methyl-4-oxopyran-3-olate);oxovanadium(2+)
SMILESCc1occc(=O)c1[O-].Cc1occc(=O)c1[O-].O=[V+2]
InChIInChI=1S/2C6H6O3.O.V/c2*1-4-6(8)5(7)2-3-9-4;;/h2*2-3,8H,1H3;;/q;;;+2/p-2
InChIKeyXUOLEICXAPEOSI-UHFFFAOYSA-L
XLogP-0.08
TPSA123.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.15
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2,6-Dimethoxy-1,4-Benzoquinone
CID 68262
Ferric Maltol
CID 169535
2,5-Dimethoxy-2,5-cyclohexadiene-1,4-dione
CID 101405
2,3-Dimethoxy-p-benzoquinone
CID 76565
Aluminum maltolate
CID 92427
Gallium Maltolate
CID 9846339
p-Benzoquinone, trimethoxy-
CID 238795
2-Methyl-4-oxo-4H-pyran-3-yl acetate
CID 120048
3-Methoxy-2-methyl-4H-pyran-4-one
CID 587693
3-Hydroxy-2-methylpyran-4-one;oxovanadium
CID 9861752
Zanthopyranone
CID 10419590
2,5-Diethoxycyclohexa-2,5-diene-1,4-dione
CID 292230

Frequently Asked Questions

What is the IUPAC name of bis(2-methyl-4-oxopyran-3-olate);oxovanadium(2+)?
The IUPAC name of bis(2-methyl-4-oxopyran-3-olate);oxovanadium(2+) (CID 3035454) is bis(2-methyl-4-oxopyran-3-olate);oxovanadium(2+).
What is the SMILES notation for bis(2-methyl-4-oxopyran-3-olate);oxovanadium(2+)?
The canonical SMILES for bis(2-methyl-4-oxopyran-3-olate);oxovanadium(2+) is Cc1occc(=O)c1[O-].Cc1occc(=O)c1[O-].O=[V+2].
What is the InChIKey of bis(2-methyl-4-oxopyran-3-olate);oxovanadium(2+)?
The InChIKey is XUOLEICXAPEOSI-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H6O3.O.V/c2*1-4-6(8)5(7)2-3-9-4;;/h2*2-3,8H,1H3;;/q;;;+2/p-2.
What are the key properties of bis(2-methyl-4-oxopyran-3-olate);oxovanadium(2+)?
bis(2-methyl-4-oxopyran-3-olate);oxovanadium(2+) has a molecular weight of 317.15 g/mol, XLogP of -0.08, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methyl-4-oxopyran-3-olate);oxovanadium(2+) is sourced from PubChem (CID 3035454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).