oxovanadium;bis(2,2,6,6-tetramethylheptane-3,5-dione)

C22H40O5V — CID 88830247

IUPACoxovanadium;bis(2,2,6,6-tetramethylheptane-3,5-dione)
SMILESCC(C)(C)C(=O)CC(=O)C(C)(C)C.CC(C)(C)C(=O)CC(=O)C(C)(C)C.O=[V]
InChIInChI=1S/2C11H20O2.O.V/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;;/h2*7H2,1-6H3;;
InChIKeyVABVKDIMAZGLLZ-UHFFFAOYSA-N
MW435.50 g/mol
LogP5.09
Rot. Bonds4

About oxovanadium;bis(2,2,6,6-tetramethylheptane-3,5-dione)

oxovanadium;bis(2,2,6,6-tetramethylheptane-3,5-dione) (PubChem CID 88830247) has the molecular formula C22H40O5V and a molecular weight of 435.50 g/mol. Its IUPAC name is oxovanadium;bis(2,2,6,6-tetramethylheptane-3,5-dione).

Molecular Properties

Compound Nameoxovanadium;bis(2,2,6,6-tetramethylheptane-3,5-dione)
PubChem CID88830247
Molecular FormulaC22H40O5V
Molecular Weight435.50 g/mol
Exact Mass435.23
IUPAC Nameoxovanadium;bis(2,2,6,6-tetramethylheptane-3,5-dione)
SMILESCC(C)(C)C(=O)CC(=O)C(C)(C)C.CC(C)(C)C(=O)CC(=O)C(C)(C)C.O=[V]
InChIInChI=1S/2C11H20O2.O.V/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;;/h2*7H2,1-6H3;;
InChIKeyVABVKDIMAZGLLZ-UHFFFAOYSA-N
XLogP5.09
TPSA85.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.50
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

praseodymium;2,2,6,6-tetramethylheptane-3,5-dione
CID 139531007
calcium 2,2,6,6-tetramethylheptane-3,5-dione
CID 21192278
calcium;hydride;2,2,6,6-tetramethylheptane-3,5-dione
CID 173276240
dysprosium(3+);tris(2-methanidyl-2,6,6-trimethylheptane-3,5-dione)
CID 174851533
iron(3+);tris(2-methanidyl-2,6,6-trimethylheptane-3,5-dione)
CID 90213888
tris(2-methanidyl-2,6,6-trimethylheptane-3,5-dione);neodymium(3+)
CID 174851540
tris(2-methanidyl-2,6,6-trimethylheptane-3,5-dione);ytterbium(3+)
CID 175018021
iridium(3+);tris(2-methanidyl-2,6,6-trimethylheptane-3,5-dione)
CID 174840957
bis(2-methanidyl-2,6,6-trimethylheptane-3,5-dione);zirconium(2+)
CID 175034885
tris(2,2,6,6-tetramethyl-3,5-dioxoheptanoic acid);yttrium
CID 154733258
hydride;rubidium(1+);2,2,6,6-tetramethyl-3,5-dioxoheptanoic acid
CID 173289199
3-tert-butylpentane-2,4-dione;2,2,6,6-tetramethylheptane-3,5-dione
CID 158377465

Frequently Asked Questions

What is the IUPAC name of oxovanadium;bis(2,2,6,6-tetramethylheptane-3,5-dione)?
The IUPAC name of oxovanadium;bis(2,2,6,6-tetramethylheptane-3,5-dione) (CID 88830247) is oxovanadium;bis(2,2,6,6-tetramethylheptane-3,5-dione).
What is the SMILES notation for oxovanadium;bis(2,2,6,6-tetramethylheptane-3,5-dione)?
The canonical SMILES for oxovanadium;bis(2,2,6,6-tetramethylheptane-3,5-dione) is CC(C)(C)C(=O)CC(=O)C(C)(C)C.CC(C)(C)C(=O)CC(=O)C(C)(C)C.O=[V].
What is the InChIKey of oxovanadium;bis(2,2,6,6-tetramethylheptane-3,5-dione)?
The InChIKey is VABVKDIMAZGLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H20O2.O.V/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;;/h2*7H2,1-6H3;;.
What are the key properties of oxovanadium;bis(2,2,6,6-tetramethylheptane-3,5-dione)?
oxovanadium;bis(2,2,6,6-tetramethylheptane-3,5-dione) has a molecular weight of 435.50 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxovanadium;bis(2,2,6,6-tetramethylheptane-3,5-dione) is sourced from PubChem (CID 88830247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).