(3-formyl-4-oxoniumylidenepentan-2-ylidene)oxidanium;bis(4-oxoniumylidenepentan-2-ylideneoxidanium);ruthenium

C16H30O7Ru+6 — CID 50909416

IUPAC(3-formyl-4-oxoniumylidenepentan-2-ylidene)oxidanium;bis(4-oxoniumylidenepentan-2-ylideneoxidanium);ruthenium
SMILES[H]/[O+]=C(\C)C(C=O)/C(C)=[O+]/[H].[H]/[O+]=C(\C)C/C(C)=[O+]/[H].[H]/[O+]=C(\C)C/C(C)=[O+]/[H].[Ru]
InChIInChI=1S/C6H8O3.2C5H8O2.Ru/c1-4(8)6(3-7)5(2)9;2*1-4(6)3-5(2)7;/h3,6H,1-2H3;2*3H2,1-2H3;/p+6
InChIKeyXGAPGZWCHJOKAV-UHFFFAOYSA-T
MW435.48 g/mol
LogP0.94
Rot. Bonds7

About (3-formyl-4-oxoniumylidenepentan-2-ylidene)oxidanium;bis(4-oxoniumylidenepentan-2-ylideneoxidanium);ruthenium

(3-formyl-4-oxoniumylidenepentan-2-ylidene)oxidanium;bis(4-oxoniumylidenepentan-2-ylideneoxidanium);ruthenium (PubChem CID 50909416) has the molecular formula C16H30O7Ru+6 and a molecular weight of 435.48 g/mol. Its IUPAC name is (3-formyl-4-oxoniumylidenepentan-2-ylidene)oxidanium;bis(4-oxoniumylidenepentan-2-ylideneoxidanium);ruthenium.

Molecular Properties

Compound Name(3-formyl-4-oxoniumylidenepentan-2-ylidene)oxidanium;bis(4-oxoniumylidenepentan-2-ylideneoxidanium);ruthenium
PubChem CID50909416
Molecular FormulaC16H30O7Ru+6
Molecular Weight435.48 g/mol
Exact Mass436.10
IUPAC Name(3-formyl-4-oxoniumylidenepentan-2-ylidene)oxidanium;bis(4-oxoniumylidenepentan-2-ylideneoxidanium);ruthenium
SMILES[H]/[O+]=C(\C)C(C=O)/C(C)=[O+]/[H].[H]/[O+]=C(\C)C/C(C)=[O+]/[H].[H]/[O+]=C(\C)C/C(C)=[O+]/[H].[Ru]
InChIInChI=1S/C6H8O3.2C5H8O2.Ru/c1-4(8)6(3-7)5(2)9;2*1-4(6)3-5(2)7;/h3,6H,1-2H3;2*3H2,1-2H3;/p+6
InChIKeyXGAPGZWCHJOKAV-UHFFFAOYSA-T
XLogP0.94
TPSA145.47 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

λ1-thallane;4-oxoniumylidenepentan-2-ylideneoxidanium
CID 50909714
dioxouranium;bis(4-oxoniumylidenepentan-2-ylideneoxidanium)
CID 5022932
dioxomolybdenum;bis(4-oxoniumylidenepentan-2-ylideneoxidanium)
CID 50911194
2-acetyl-3-oxobutanal;rhodium
CID 175459599
2-formyl-3-oxobutanamide
CID 45085336
(2-formyl-3-hydroxypropyl) N-methylcarbamate
CID 91070764
2-acetyl-3-oxohexanal
CID 56620849
2-(methoxyamino)-4-methylpentanal
CID 18004474
(E)-5-methoxy-2-methylhex-4-en-1-ol
CID 142061120
N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-3-oxobutan-2-yl]formamide
CID 178096823
3-methyl-N-(3-methyl-1-oxopentan-2-yl)butanamide
CID 123144542
2-(3-oxobutanoyl)propanedial
CID 57284293

Frequently Asked Questions

What is the IUPAC name of (3-formyl-4-oxoniumylidenepentan-2-ylidene)oxidanium;bis(4-oxoniumylidenepentan-2-ylideneoxidanium);ruthenium?
The IUPAC name of (3-formyl-4-oxoniumylidenepentan-2-ylidene)oxidanium;bis(4-oxoniumylidenepentan-2-ylideneoxidanium);ruthenium (CID 50909416) is (3-formyl-4-oxoniumylidenepentan-2-ylidene)oxidanium;bis(4-oxoniumylidenepentan-2-ylideneoxidanium);ruthenium.
What is the SMILES notation for (3-formyl-4-oxoniumylidenepentan-2-ylidene)oxidanium;bis(4-oxoniumylidenepentan-2-ylideneoxidanium);ruthenium?
The canonical SMILES for (3-formyl-4-oxoniumylidenepentan-2-ylidene)oxidanium;bis(4-oxoniumylidenepentan-2-ylideneoxidanium);ruthenium is [H]/[O+]=C(\C)C(C=O)/C(C)=[O+]/[H].[H]/[O+]=C(\C)C/C(C)=[O+]/[H].[H]/[O+]=C(\C)C/C(C)=[O+]/[H].[Ru].
What is the InChIKey of (3-formyl-4-oxoniumylidenepentan-2-ylidene)oxidanium;bis(4-oxoniumylidenepentan-2-ylideneoxidanium);ruthenium?
The InChIKey is XGAPGZWCHJOKAV-UHFFFAOYSA-T. The full InChI is InChI=1S/C6H8O3.2C5H8O2.Ru/c1-4(8)6(3-7)5(2)9;2*1-4(6)3-5(2)7;/h3,6H,1-2H3;2*3H2,1-2H3;/p+6.
What are the key properties of (3-formyl-4-oxoniumylidenepentan-2-ylidene)oxidanium;bis(4-oxoniumylidenepentan-2-ylideneoxidanium);ruthenium?
(3-formyl-4-oxoniumylidenepentan-2-ylidene)oxidanium;bis(4-oxoniumylidenepentan-2-ylideneoxidanium);ruthenium has a molecular weight of 435.48 g/mol, XLogP of 0.94, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-formyl-4-oxoniumylidenepentan-2-ylidene)oxidanium;bis(4-oxoniumylidenepentan-2-ylideneoxidanium);ruthenium is sourced from PubChem (CID 50909416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).