chromium(6+);methanone

C6H6CrO6 — CID 15196421

IUPACchromium(6+);methanone
SMILES[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[Cr+6]
InChIInChI=1S/6CHO.Cr/c6*1-2;/h6*1H;/q6*-1;+6
InChIKeyXCFSQIQTIGAWTF-UHFFFAOYSA-N
MW226.10 g/mol
LogP-1.65
Rot. Bonds

About chromium(6+);methanone

chromium(6+);methanone (PubChem CID 15196421) has the molecular formula C6H6CrO6 and a molecular weight of 226.10 g/mol. Its IUPAC name is chromium(6+);methanone.

Molecular Properties

Compound Namechromium(6+);methanone
PubChem CID15196421
Molecular FormulaC6H6CrO6
Molecular Weight226.10 g/mol
Exact Mass225.96
IUPAC Namechromium(6+);methanone
SMILES[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[Cr+6]
InChIInChI=1S/6CHO.Cr/c6*1-2;/h6*1H;/q6*-1;+6
InChIKeyXCFSQIQTIGAWTF-UHFFFAOYSA-N
XLogP-1.65
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.10
LogP ≤ 5-1.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze chromium(6+);methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of chromium(6+);methanone?
The IUPAC name of chromium(6+);methanone (CID 15196421) is chromium(6+);methanone.
What is the SMILES notation for chromium(6+);methanone?
The canonical SMILES for chromium(6+);methanone is [CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[Cr+6].
What is the InChIKey of chromium(6+);methanone?
The InChIKey is XCFSQIQTIGAWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/6CHO.Cr/c6*1-2;/h6*1H;/q6*-1;+6.
What are the key properties of chromium(6+);methanone?
chromium(6+);methanone has a molecular weight of 226.10 g/mol, XLogP of -1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(6+);methanone is sourced from PubChem (CID 15196421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).