pentakis(oxygen(2-));pentane-2,4-dione;bis(vanadium)

C5H8O7V2-10 — CID 158275345

IUPACpentakis(oxygen(2-));pentane-2,4-dione;bis(vanadium)
SMILESCC(=O)CC(C)=O.[O-2].[O-2].[O-2].[O-2].[O-2].[V].[V]
InChIInChI=1S/C5H8O2.5O.2V/c1-4(6)3-5(2)7;;;;;;;/h3H2,1-2H3;;;;;;;/q;5*-2;;
InChIKeyMXSZSAFHTDTAAZ-UHFFFAOYSA-N
MW282.00 g/mol
LogP-0.04
Rot. Bonds2

About pentakis(oxygen(2-));pentane-2,4-dione;bis(vanadium)

pentakis(oxygen(2-));pentane-2,4-dione;bis(vanadium) (PubChem CID 158275345) has the molecular formula C5H8O7V2-10 and a molecular weight of 282.00 g/mol. Its IUPAC name is pentakis(oxygen(2-));pentane-2,4-dione;bis(vanadium).

Molecular Properties

Compound Namepentakis(oxygen(2-));pentane-2,4-dione;bis(vanadium)
PubChem CID158275345
Molecular FormulaC5H8O7V2-10
Molecular Weight282.00 g/mol
Exact Mass281.92
IUPAC Namepentakis(oxygen(2-));pentane-2,4-dione;bis(vanadium)
SMILESCC(=O)CC(C)=O.[O-2].[O-2].[O-2].[O-2].[O-2].[V].[V]
InChIInChI=1S/C5H8O2.5O.2V/c1-4(6)3-5(2)7;;;;;;;/h3H2,1-2H3;;;;;;;/q;5*-2;;
InChIKeyMXSZSAFHTDTAAZ-UHFFFAOYSA-N
XLogP-0.04
TPSA176.64 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.00
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pentakis(oxygen(2-));pentane-2,4-dione;bis(vanadium)?
The IUPAC name of pentakis(oxygen(2-));pentane-2,4-dione;bis(vanadium) (CID 158275345) is pentakis(oxygen(2-));pentane-2,4-dione;bis(vanadium).
What is the SMILES notation for pentakis(oxygen(2-));pentane-2,4-dione;bis(vanadium)?
The canonical SMILES for pentakis(oxygen(2-));pentane-2,4-dione;bis(vanadium) is CC(=O)CC(C)=O.[O-2].[O-2].[O-2].[O-2].[O-2].[V].[V].
What is the InChIKey of pentakis(oxygen(2-));pentane-2,4-dione;bis(vanadium)?
The InChIKey is MXSZSAFHTDTAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.5O.2V/c1-4(6)3-5(2)7;;;;;;;/h3H2,1-2H3;;;;;;;/q;5*-2;;.
What are the key properties of pentakis(oxygen(2-));pentane-2,4-dione;bis(vanadium)?
pentakis(oxygen(2-));pentane-2,4-dione;bis(vanadium) has a molecular weight of 282.00 g/mol, XLogP of -0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(oxygen(2-));pentane-2,4-dione;bis(vanadium) is sourced from PubChem (CID 158275345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).