cesium nonanoate

C9H17CsO2 — CID 140771880

IUPACcesium nonanoate
SMILESCCCCCCCCC(=O)[O-].[Cs+]
InChIInChI=1S/C9H18O2.Cs/c1-2-3-4-5-6-7-8-9(10)11;/h2-8H2,1H3,(H,10,11);/q;+1/p-1
InChIKeyHAXNKKSVZGDYPL-UHFFFAOYSA-M
MW290.14 g/mol
LogP-1.51
Rot. Bonds7

About cesium nonanoate

cesium nonanoate (PubChem CID 140771880) has the molecular formula C9H17CsO2 and a molecular weight of 290.14 g/mol. Its IUPAC name is cesium nonanoate.

Molecular Properties

Compound Namecesium nonanoate
PubChem CID140771880
Molecular FormulaC9H17CsO2
Molecular Weight290.14 g/mol
Exact Mass290.03
IUPAC Namecesium nonanoate
SMILESCCCCCCCCC(=O)[O-].[Cs+]
InChIInChI=1S/C9H18O2.Cs/c1-2-3-4-5-6-7-8-9(10)11;/h2-8H2,1H3,(H,10,11);/q;+1/p-1
InChIKeyHAXNKKSVZGDYPL-UHFFFAOYSA-M
XLogP-1.51
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.14
LogP ≤ 5-1.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

cesium tetradecanoate
CID 23690793
cesium tetracosanoate
CID 140771917
CID 23623890
CID 23623890
octadecanoate
CID 3033836
bis(octadecanoate);platinum(2+)
CID 87233709
aluminum tris(dodecanoate)
CID 18764696
tripotassium;dodecanoate;hexadecanoate;tetradecanoate
CID 161147915
dimagnesium;octadecanoate
CID 19105820
magnesium;docosanoate;octadecanoate
CID 158868243
decanoate;lanthanum(3+)
CID 21139452
calcium;hexadecanoate;octadecanoate
CID 22065418
bis(undecanoate);zirconium(2+)
CID 18995554

Frequently Asked Questions

What is the IUPAC name of cesium nonanoate?
The IUPAC name of cesium nonanoate (CID 140771880) is cesium nonanoate.
What is the SMILES notation for cesium nonanoate?
The canonical SMILES for cesium nonanoate is CCCCCCCCC(=O)[O-].[Cs+].
What is the InChIKey of cesium nonanoate?
The InChIKey is HAXNKKSVZGDYPL-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H18O2.Cs/c1-2-3-4-5-6-7-8-9(10)11;/h2-8H2,1H3,(H,10,11);/q;+1/p-1.
What are the key properties of cesium nonanoate?
cesium nonanoate has a molecular weight of 290.14 g/mol, XLogP of -1.51, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cesium nonanoate is sourced from PubChem (CID 140771880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).