dicesium;methanone

CHCs2O+ — CID 59087112

IUPACdicesium;methanone
SMILES[CH-]=O.[Cs+].[Cs+]
InChIInChI=1S/CHO.2Cs/c1-2;;/h1H;;/q-1;2*+1
InChIKeyFCTUVTAVBICHNF-UHFFFAOYSA-N
MW294.83 g/mol
LogP-6.27
Rot. Bonds

About dicesium;methanone

dicesium;methanone (PubChem CID 59087112) has the molecular formula CHCs2O+ and a molecular weight of 294.83 g/mol. Its IUPAC name is dicesium;methanone.

Molecular Properties

Compound Namedicesium;methanone
PubChem CID59087112
Molecular FormulaCHCs2O+
Molecular Weight294.83 g/mol
Exact Mass294.81
IUPAC Namedicesium;methanone
SMILES[CH-]=O.[Cs+].[Cs+]
InChIInChI=1S/CHO.2Cs/c1-2;;/h1H;;/q-1;2*+1
InChIKeyFCTUVTAVBICHNF-UHFFFAOYSA-N
XLogP-6.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 5-6.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of dicesium;methanone?
The IUPAC name of dicesium;methanone (CID 59087112) is dicesium;methanone.
What is the SMILES notation for dicesium;methanone?
The canonical SMILES for dicesium;methanone is [CH-]=O.[Cs+].[Cs+].
What is the InChIKey of dicesium;methanone?
The InChIKey is FCTUVTAVBICHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/CHO.2Cs/c1-2;;/h1H;;/q-1;2*+1.
What are the key properties of dicesium;methanone?
dicesium;methanone has a molecular weight of 294.83 g/mol, XLogP of -6.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dicesium;methanone is sourced from PubChem (CID 59087112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).