acetyl acetate;2-oxopropanoic acid;vanadium

C7H10O6V — CID 174449179

IUPACacetyl acetate;2-oxopropanoic acid;vanadium
SMILESCC(=O)C(=O)O.CC(=O)OC(C)=O.[V]
InChIInChI=1S/C4H6O3.C3H4O3.V/c1-3(5)7-4(2)6;1-2(4)3(5)6;/h1-2H3;1H3,(H,5,6);
InChIKeyJMGCSVVGZSUXGE-UHFFFAOYSA-N
MW241.09 g/mol
LogP-0.25
Rot. Bonds1

About acetyl acetate;2-oxopropanoic acid;vanadium

acetyl acetate;2-oxopropanoic acid;vanadium (PubChem CID 174449179) has the molecular formula C7H10O6V and a molecular weight of 241.09 g/mol. Its IUPAC name is acetyl acetate;2-oxopropanoic acid;vanadium.

Molecular Properties

Compound Nameacetyl acetate;2-oxopropanoic acid;vanadium
PubChem CID174449179
Molecular FormulaC7H10O6V
Molecular Weight241.09 g/mol
Exact Mass240.99
IUPAC Nameacetyl acetate;2-oxopropanoic acid;vanadium
SMILESCC(=O)C(=O)O.CC(=O)OC(C)=O.[V]
InChIInChI=1S/C4H6O3.C3H4O3.V/c1-3(5)7-4(2)6;1-2(4)3(5)6;/h1-2H3;1H3,(H,5,6);
InChIKeyJMGCSVVGZSUXGE-UHFFFAOYSA-N
XLogP-0.25
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

acetyl acetate;hydrochloride
CID 87138027
acetyl acetate;chromium(2+)
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CID 160689228
manganese(2+);2-oxopropanoic acid
CID 162367990
aluminum;acetyl acetate;trichloride
CID 86584360
acetyl acetate;carbanide;gold
CID 87857087
dicalcium;acetyl acetate;hydride
CID 174404063
acetyl acetate;zinc;dihydrate
CID 174593639
strontium 2-oxopropanoic acid
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CID 131870939
iridium;2-oxopropanoic acid
CID 174870791
acetyl acetate;methoxymethane;propan-2-one
CID 158376836

Frequently Asked Questions

What is the IUPAC name of acetyl acetate;2-oxopropanoic acid;vanadium?
The IUPAC name of acetyl acetate;2-oxopropanoic acid;vanadium (CID 174449179) is acetyl acetate;2-oxopropanoic acid;vanadium.
What is the SMILES notation for acetyl acetate;2-oxopropanoic acid;vanadium?
The canonical SMILES for acetyl acetate;2-oxopropanoic acid;vanadium is CC(=O)C(=O)O.CC(=O)OC(C)=O.[V].
What is the InChIKey of acetyl acetate;2-oxopropanoic acid;vanadium?
The InChIKey is JMGCSVVGZSUXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O3.C3H4O3.V/c1-3(5)7-4(2)6;1-2(4)3(5)6;/h1-2H3;1H3,(H,5,6);.
What are the key properties of acetyl acetate;2-oxopropanoic acid;vanadium?
acetyl acetate;2-oxopropanoic acid;vanadium has a molecular weight of 241.09 g/mol, XLogP of -0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl acetate;2-oxopropanoic acid;vanadium is sourced from PubChem (CID 174449179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).