λ1-thallane;4-oxoniumylidenepentan-2-ylideneoxidanium

C5H10O2Tl+2 — CID 50909714

IUPACλ1-thallane;4-oxoniumylidenepentan-2-ylideneoxidanium
SMILES[H]/[O+]=C(\C)C/C(C)=[O+]/[H].[Tl]
InChIInChI=1S/C5H8O2.Tl/c1-4(6)3-5(2)7;/h3H2,1-2H3;/p+2
InChIKeyYVOJIIUXXCKQRJ-UHFFFAOYSA-P
MW306.52 g/mol
LogP0.13
Rot. Bonds2

About λ1-thallane;4-oxoniumylidenepentan-2-ylideneoxidanium

λ1-thallane;4-oxoniumylidenepentan-2-ylideneoxidanium (PubChem CID 50909714) has the molecular formula C5H10O2Tl+2 and a molecular weight of 306.52 g/mol. Its IUPAC name is λ1-thallane;4-oxoniumylidenepentan-2-ylideneoxidanium.

Molecular Properties

Compound Nameλ1-thallane;4-oxoniumylidenepentan-2-ylideneoxidanium
PubChem CID50909714
Molecular FormulaC5H10O2Tl+2
Molecular Weight306.52 g/mol
Exact Mass307.04
IUPAC Nameλ1-thallane;4-oxoniumylidenepentan-2-ylideneoxidanium
SMILES[H]/[O+]=C(\C)C/C(C)=[O+]/[H].[Tl]
InChIInChI=1S/C5H8O2.Tl/c1-4(6)3-5(2)7;/h3H2,1-2H3;/p+2
InChIKeyYVOJIIUXXCKQRJ-UHFFFAOYSA-P
XLogP0.13
TPSA42.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

dioxouranium;bis(4-oxoniumylidenepentan-2-ylideneoxidanium)
CID 5022932
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
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
CID 101086854
CID 101086854
bis((4-oxoniumylidene-4-phenylbutan-2-ylidene)oxidanium);oxovanadium
CID 5165107
iron;[3-oxo-1-[4-(3-oxoniumylidenebutanoyl)phenyl]butylidene]oxidanium
CID 50911481
samarium;tris((2,2,6,6-tetramethyl-5-oxoniumylideneheptan-3-ylidene)oxidanium)
CID 50909582
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 λ1-thallane;4-oxoniumylidenepentan-2-ylideneoxidanium?
The IUPAC name of λ1-thallane;4-oxoniumylidenepentan-2-ylideneoxidanium (CID 50909714) is λ1-thallane;4-oxoniumylidenepentan-2-ylideneoxidanium.
What is the SMILES notation for λ1-thallane;4-oxoniumylidenepentan-2-ylideneoxidanium?
The canonical SMILES for λ1-thallane;4-oxoniumylidenepentan-2-ylideneoxidanium is [H]/[O+]=C(\C)C/C(C)=[O+]/[H].[Tl].
What is the InChIKey of λ1-thallane;4-oxoniumylidenepentan-2-ylideneoxidanium?
The InChIKey is YVOJIIUXXCKQRJ-UHFFFAOYSA-P. The full InChI is InChI=1S/C5H8O2.Tl/c1-4(6)3-5(2)7;/h3H2,1-2H3;/p+2.
What are the key properties of λ1-thallane;4-oxoniumylidenepentan-2-ylideneoxidanium?
λ1-thallane;4-oxoniumylidenepentan-2-ylideneoxidanium has a molecular weight of 306.52 g/mol, XLogP of 0.13, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for λ1-thallane;4-oxoniumylidenepentan-2-ylideneoxidanium is sourced from PubChem (CID 50909714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).