cesium 2-methylpropan-2-olate

C4H9CsO — CID 23682183

IUPACcesium 2-methylpropan-2-olate
SMILESCC(C)(C)[O-].[Cs+]
InChIInChI=1S/C4H9O.Cs/c1-4(2,3)5;/h1-3H3;/q-1;+1
InChIKeyNVBVGMKBMCZMFG-UHFFFAOYSA-N
MW206.02 g/mol
LogP-2.85
Rot. Bonds

About cesium 2-methylpropan-2-olate

cesium 2-methylpropan-2-olate (PubChem CID 23682183) has the molecular formula C4H9CsO and a molecular weight of 206.02 g/mol. Its IUPAC name is cesium 2-methylpropan-2-olate.

Molecular Properties

Compound Namecesium 2-methylpropan-2-olate
PubChem CID23682183
Molecular FormulaC4H9CsO
Molecular Weight206.02 g/mol
Exact Mass205.97
IUPAC Namecesium 2-methylpropan-2-olate
SMILESCC(C)(C)[O-].[Cs+]
InChIInChI=1S/C4H9O.Cs/c1-4(2,3)5;/h1-3H3;/q-1;+1
InChIKeyNVBVGMKBMCZMFG-UHFFFAOYSA-N
XLogP-2.85
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.02
LogP ≤ 5-2.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze cesium 2-methylpropan-2-olate 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 cesium 2-methylpropan-2-olate?
The IUPAC name of cesium 2-methylpropan-2-olate (CID 23682183) is cesium 2-methylpropan-2-olate.
What is the SMILES notation for cesium 2-methylpropan-2-olate?
The canonical SMILES for cesium 2-methylpropan-2-olate is CC(C)(C)[O-].[Cs+].
What is the InChIKey of cesium 2-methylpropan-2-olate?
The InChIKey is NVBVGMKBMCZMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O.Cs/c1-4(2,3)5;/h1-3H3;/q-1;+1.
What are the key properties of cesium 2-methylpropan-2-olate?
cesium 2-methylpropan-2-olate has a molecular weight of 206.02 g/mol, XLogP of -2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cesium 2-methylpropan-2-olate is sourced from PubChem (CID 23682183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).