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

C10H20MoO6+4 — CID 50911194

IUPACdioxomolybdenum;bis(4-oxoniumylidenepentan-2-ylideneoxidanium)
SMILESO=[Mo]=O.[H]/[O+]=C(\C)C/C(C)=[O+]/[H].[H]/[O+]=C(\C)C/C(C)=[O+]/[H]
InChIInChI=1S/2C5H8O2.Mo.2O/c2*1-4(6)3-5(2)7;;;/h2*3H2,1-2H3;;;/p+4
InChIKeyYVUTVJXMUXHZGH-UHFFFAOYSA-R
MW332.20 g/mol
LogP0.77
Rot. Bonds4

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

dioxomolybdenum;bis(4-oxoniumylidenepentan-2-ylideneoxidanium) (PubChem CID 50911194) has the molecular formula C10H20MoO6+4 and a molecular weight of 332.20 g/mol. Its IUPAC name is dioxomolybdenum;bis(4-oxoniumylidenepentan-2-ylideneoxidanium).

Molecular Properties

Compound Namedioxomolybdenum;bis(4-oxoniumylidenepentan-2-ylideneoxidanium)
PubChem CID50911194
Molecular FormulaC10H20MoO6+4
Molecular Weight332.20 g/mol
Exact Mass334.03
IUPAC Namedioxomolybdenum;bis(4-oxoniumylidenepentan-2-ylideneoxidanium)
SMILESO=[Mo]=O.[H]/[O+]=C(\C)C/C(C)=[O+]/[H].[H]/[O+]=C(\C)C/C(C)=[O+]/[H]
InChIInChI=1S/2C5H8O2.Mo.2O/c2*1-4(6)3-5(2)7;;;/h2*3H2,1-2H3;;;/p+4
InChIKeyYVUTVJXMUXHZGH-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 ≤ 500332.20
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
dioxouranium;bis(4-oxoniumylidenepentan-2-ylideneoxidanium)
CID 5022932
cobalt;bis(4-oxoniumylidenepentan-2-ylideneoxidanium);dinitrite
CID 50911407
(3-formyl-4-oxoniumylidenepentan-2-ylidene)oxidanium;bis(4-oxoniumylidenepentan-2-ylideneoxidanium);ruthenium
CID 50909416
tetrakis((1,1,1-trifluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium);zirconium
CID 5209698
chromium;tris((1,1,1-trifluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium)
CID 50909558
bis((4-oxoniumylidene-4-phenylbutan-2-ylidene)oxidanium);oxovanadium
CID 5165107
dioxomolybdenum;pentane-2,4-dione
CID 160782783
CID 101086854
CID 101086854
iron;[3-oxo-1-[4-(3-oxoniumylidenebutanoyl)phenyl]butylidene]oxidanium
CID 50911481
tris((2,2,6,6-tetramethyl-5-oxoniumylideneheptan-3-ylidene)oxidanium);yttrium
CID 50911554
scandium;tris((2,2,6,6-tetramethyl-5-oxoniumylideneheptan-3-ylidene)oxidanium)
CID 3569331

Frequently Asked Questions

What is the IUPAC name of dioxomolybdenum;bis(4-oxoniumylidenepentan-2-ylideneoxidanium)?
The IUPAC name of dioxomolybdenum;bis(4-oxoniumylidenepentan-2-ylideneoxidanium) (CID 50911194) is dioxomolybdenum;bis(4-oxoniumylidenepentan-2-ylideneoxidanium).
What is the SMILES notation for dioxomolybdenum;bis(4-oxoniumylidenepentan-2-ylideneoxidanium)?
The canonical SMILES for dioxomolybdenum;bis(4-oxoniumylidenepentan-2-ylideneoxidanium) is O=[Mo]=O.[H]/[O+]=C(\C)C/C(C)=[O+]/[H].[H]/[O+]=C(\C)C/C(C)=[O+]/[H].
What is the InChIKey of dioxomolybdenum;bis(4-oxoniumylidenepentan-2-ylideneoxidanium)?
The InChIKey is YVUTVJXMUXHZGH-UHFFFAOYSA-R. The full InChI is InChI=1S/2C5H8O2.Mo.2O/c2*1-4(6)3-5(2)7;;;/h2*3H2,1-2H3;;;/p+4.
What are the key properties of dioxomolybdenum;bis(4-oxoniumylidenepentan-2-ylideneoxidanium)?
dioxomolybdenum;bis(4-oxoniumylidenepentan-2-ylideneoxidanium) has a molecular weight of 332.20 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 dioxomolybdenum;bis(4-oxoniumylidenepentan-2-ylideneoxidanium) is sourced from PubChem (CID 50911194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).