dioxouranium;bis(4-oxoniumylidenepentan-2-ylideneoxidanium)

C10H20O6U+4 — CID 5022932

IUPACdioxouranium;bis(4-oxoniumylidenepentan-2-ylideneoxidanium)
SMILESO=[U]=O.[H]/[O+]=C(\C)C/C(C)=[O+]/[H].[H]/[O+]=C(\C)C/C(C)=[O+]/[H]
InChIInChI=1S/2C5H8O2.2O.U/c2*1-4(6)3-5(2)7;;;/h2*3H2,1-2H3;;;/p+4
InChIKeyNPMJHALJDKEWRX-UHFFFAOYSA-R
MW474.29 g/mol
LogP0.77
Rot. Bonds4

About dioxouranium;bis(4-oxoniumylidenepentan-2-ylideneoxidanium)

dioxouranium;bis(4-oxoniumylidenepentan-2-ylideneoxidanium) (PubChem CID 5022932) has the molecular formula C10H20O6U+4 and a molecular weight of 474.29 g/mol. Its IUPAC name is dioxouranium;bis(4-oxoniumylidenepentan-2-ylideneoxidanium).

Molecular Properties

Compound Namedioxouranium;bis(4-oxoniumylidenepentan-2-ylideneoxidanium)
PubChem CID5022932
Molecular FormulaC10H20O6U+4
Molecular Weight474.29 g/mol
Exact Mass474.17
IUPAC Namedioxouranium;bis(4-oxoniumylidenepentan-2-ylideneoxidanium)
SMILESO=[U]=O.[H]/[O+]=C(\C)C/C(C)=[O+]/[H].[H]/[O+]=C(\C)C/C(C)=[O+]/[H]
InChIInChI=1S/2C5H8O2.2O.U/c2*1-4(6)3-5(2)7;;;/h2*3H2,1-2H3;;;/p+4
InChIKeyNPMJHALJDKEWRX-UHFFFAOYSA-R
XLogP0.77
TPSA119.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.29
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

λ1-thallane;4-oxoniumylidenepentan-2-ylideneoxidanium
CID 50909714
dioxomolybdenum;bis(4-oxoniumylidenepentan-2-ylideneoxidanium)
CID 50911194
cobalt;bis(4-oxoniumylidenepentan-2-ylideneoxidanium);dinitrite
CID 50911407
(3-formyl-4-oxoniumylidenepentan-2-ylidene)oxidanium;bis(4-oxoniumylidenepentan-2-ylideneoxidanium);ruthenium
CID 50909416
chromium;tris((1,1,1-trifluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium)
CID 50909558
bis((4-oxoniumylidene-4-phenylbutan-2-ylidene)oxidanium);oxovanadium
CID 5165107
CID 101086854
CID 101086854
iron;[3-oxo-1-[4-(3-oxoniumylidenebutanoyl)phenyl]butylidene]oxidanium
CID 50911481
1-[2-[2-(2-carboxyethylamino)-2-oxoethyl]phenyl]propan-2-ylideneoxidanium
CID 163432580
tris((2,2,6,6-tetramethyl-5-oxoniumylideneheptan-3-ylidene)oxidanium);yttrium
CID 50911554
samarium;tris((2,2,6,6-tetramethyl-5-oxoniumylideneheptan-3-ylidene)oxidanium)
CID 50909582
scandium;tris((2,2,6,6-tetramethyl-5-oxoniumylideneheptan-3-ylidene)oxidanium)
CID 3569331

Frequently Asked Questions

What is the IUPAC name of dioxouranium;bis(4-oxoniumylidenepentan-2-ylideneoxidanium)?
The IUPAC name of dioxouranium;bis(4-oxoniumylidenepentan-2-ylideneoxidanium) (CID 5022932) is dioxouranium;bis(4-oxoniumylidenepentan-2-ylideneoxidanium).
What is the SMILES notation for dioxouranium;bis(4-oxoniumylidenepentan-2-ylideneoxidanium)?
The canonical SMILES for dioxouranium;bis(4-oxoniumylidenepentan-2-ylideneoxidanium) is O=[U]=O.[H]/[O+]=C(\C)C/C(C)=[O+]/[H].[H]/[O+]=C(\C)C/C(C)=[O+]/[H].
What is the InChIKey of dioxouranium;bis(4-oxoniumylidenepentan-2-ylideneoxidanium)?
The InChIKey is NPMJHALJDKEWRX-UHFFFAOYSA-R. The full InChI is InChI=1S/2C5H8O2.2O.U/c2*1-4(6)3-5(2)7;;;/h2*3H2,1-2H3;;;/p+4.
What are the key properties of dioxouranium;bis(4-oxoniumylidenepentan-2-ylideneoxidanium)?
dioxouranium;bis(4-oxoniumylidenepentan-2-ylideneoxidanium) has a molecular weight of 474.29 g/mol, XLogP of 0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dioxouranium;bis(4-oxoniumylidenepentan-2-ylideneoxidanium) is sourced from PubChem (CID 5022932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).