cesium methoxy carbonate

C2H3CsO4 — CID 142322558

IUPACcesium methoxy carbonate
SMILESCOOC(=O)[O-].[Cs+]
InChIInChI=1S/C2H4O4.Cs/c1-5-6-2(3)4;/h1H3,(H,3,4);/q;+1/p-1
InChIKeyJIBZWFUJUYKMIT-UHFFFAOYSA-M
MW223.95 g/mol
LogP-4.09
Rot. Bonds1

About cesium methoxy carbonate

cesium methoxy carbonate (PubChem CID 142322558) has the molecular formula C2H3CsO4 and a molecular weight of 223.95 g/mol. Its IUPAC name is cesium methoxy carbonate.

Molecular Properties

Compound Namecesium methoxy carbonate
PubChem CID142322558
Molecular FormulaC2H3CsO4
Molecular Weight223.95 g/mol
Exact Mass223.91
IUPAC Namecesium methoxy carbonate
SMILESCOOC(=O)[O-].[Cs+]
InChIInChI=1S/C2H4O4.Cs/c1-5-6-2(3)4;/h1H3,(H,3,4);/q;+1/p-1
InChIKeyJIBZWFUJUYKMIT-UHFFFAOYSA-M
XLogP-4.09
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.95
LogP ≤ 5-4.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cesium methoxy carbonate?
The IUPAC name of cesium methoxy carbonate (CID 142322558) is cesium methoxy carbonate.
What is the SMILES notation for cesium methoxy carbonate?
The canonical SMILES for cesium methoxy carbonate is COOC(=O)[O-].[Cs+].
What is the InChIKey of cesium methoxy carbonate?
The InChIKey is JIBZWFUJUYKMIT-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4O4.Cs/c1-5-6-2(3)4;/h1H3,(H,3,4);/q;+1/p-1.
What are the key properties of cesium methoxy carbonate?
cesium methoxy carbonate has a molecular weight of 223.95 g/mol, XLogP of -4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cesium methoxy carbonate is sourced from PubChem (CID 142322558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).