methanol;methanone;bis(ruthenium(3+));ruthenium(4+)

C12H18O12Ru3 — CID 147382278

IUPACmethanol;methanone;bis(ruthenium(3+));ruthenium(4+)
SMILESCO.CO.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[Ru+3].[Ru+3].[Ru+4]
InChIInChI=1S/2CH4O.10CHO.3Ru/c12*1-2;;;/h2*2H,1H3;10*1H;;;/q;;10*-1;2*+3;+4
InChIKeyKRIXYJRZEHZCIT-UHFFFAOYSA-N
MW657.47 g/mol
LogP-3.53
Rot. Bonds

About methanol;methanone;bis(ruthenium(3+));ruthenium(4+)

methanol;methanone;bis(ruthenium(3+));ruthenium(4+) (PubChem CID 147382278) has the molecular formula C12H18O12Ru3 and a molecular weight of 657.47 g/mol. Its IUPAC name is methanol;methanone;bis(ruthenium(3+));ruthenium(4+).

Molecular Properties

Compound Namemethanol;methanone;bis(ruthenium(3+));ruthenium(4+)
PubChem CID147382278
Molecular FormulaC12H18O12Ru3
Molecular Weight657.47 g/mol
Exact Mass659.79
IUPAC Namemethanol;methanone;bis(ruthenium(3+));ruthenium(4+)
SMILESCO.CO.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[Ru+3].[Ru+3].[Ru+4]
InChIInChI=1S/2CH4O.10CHO.3Ru/c12*1-2;;;/h2*2H,1H3;10*1H;;;/q;;10*-1;2*+3;+4
InChIKeyKRIXYJRZEHZCIT-UHFFFAOYSA-N
XLogP-3.53
TPSA211.16 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.47
LogP ≤ 5-3.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methanol;methanone;bis(ruthenium(3+));ruthenium(4+)?
The IUPAC name of methanol;methanone;bis(ruthenium(3+));ruthenium(4+) (CID 147382278) is methanol;methanone;bis(ruthenium(3+));ruthenium(4+).
What is the SMILES notation for methanol;methanone;bis(ruthenium(3+));ruthenium(4+)?
The canonical SMILES for methanol;methanone;bis(ruthenium(3+));ruthenium(4+) is CO.CO.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[Ru+3].[Ru+3].[Ru+4].
What is the InChIKey of methanol;methanone;bis(ruthenium(3+));ruthenium(4+)?
The InChIKey is KRIXYJRZEHZCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/2CH4O.10CHO.3Ru/c12*1-2;;;/h2*2H,1H3;10*1H;;;/q;;10*-1;2*+3;+4.
What are the key properties of methanol;methanone;bis(ruthenium(3+));ruthenium(4+)?
methanol;methanone;bis(ruthenium(3+));ruthenium(4+) has a molecular weight of 657.47 g/mol, XLogP of -3.53, 0 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;methanone;bis(ruthenium(3+));ruthenium(4+) is sourced from PubChem (CID 147382278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).