cesium hydroxymethanolate

CH3CsO2 — CID 142418848

IUPACcesium hydroxymethanolate
SMILES[Cs+].[O-]CO
InChIInChI=1S/CH3O2.Cs/c2-1-3;/h2H,1H2;/q-1;+1
InChIKeyOPVHWLFDDQHXBW-UHFFFAOYSA-N
MW179.94 g/mol
LogP-4.70
Rot. Bonds

About cesium hydroxymethanolate

cesium hydroxymethanolate (PubChem CID 142418848) has the molecular formula CH3CsO2 and a molecular weight of 179.94 g/mol. Its IUPAC name is cesium hydroxymethanolate.

Molecular Properties

Compound Namecesium hydroxymethanolate
PubChem CID142418848
Molecular FormulaCH3CsO2
Molecular Weight179.94 g/mol
Exact Mass179.92
IUPAC Namecesium hydroxymethanolate
SMILES[Cs+].[O-]CO
InChIInChI=1S/CH3O2.Cs/c2-1-3;/h2H,1H2;/q-1;+1
InChIKeyOPVHWLFDDQHXBW-UHFFFAOYSA-N
XLogP-4.70
TPSA43.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.94
LogP ≤ 5-4.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cesium hydroxymethanolate?
The IUPAC name of cesium hydroxymethanolate (CID 142418848) is cesium hydroxymethanolate.
What is the SMILES notation for cesium hydroxymethanolate?
The canonical SMILES for cesium hydroxymethanolate is [Cs+].[O-]CO.
What is the InChIKey of cesium hydroxymethanolate?
The InChIKey is OPVHWLFDDQHXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3O2.Cs/c2-1-3;/h2H,1H2;/q-1;+1.
What are the key properties of cesium hydroxymethanolate?
cesium hydroxymethanolate has a molecular weight of 179.94 g/mol, XLogP of -4.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cesium hydroxymethanolate is sourced from PubChem (CID 142418848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).