cesium tetracosanoate

C24H47CsO2 — CID 140771917

IUPACcesium tetracosanoate
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].[Cs+]
InChIInChI=1S/C24H48O2.Cs/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26;/h2-23H2,1H3,(H,25,26);/q;+1/p-1
InChIKeyNQZMJOFCNRCICS-UHFFFAOYSA-M
MW500.54 g/mol
LogP4.34
Rot. Bonds22

About cesium tetracosanoate

cesium tetracosanoate (PubChem CID 140771917) has the molecular formula C24H47CsO2 and a molecular weight of 500.54 g/mol. Its IUPAC name is cesium tetracosanoate.

Molecular Properties

Compound Namecesium tetracosanoate
PubChem CID140771917
Molecular FormulaC24H47CsO2
Molecular Weight500.54 g/mol
Exact Mass500.26
IUPAC Namecesium tetracosanoate
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].[Cs+]
InChIInChI=1S/C24H48O2.Cs/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26;/h2-23H2,1H3,(H,25,26);/q;+1/p-1
InChIKeyNQZMJOFCNRCICS-UHFFFAOYSA-M
XLogP4.34
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.54
LogP ≤ 54.34
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 nonanoate
CID 140771880
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 tetracosanoate?
The IUPAC name of cesium tetracosanoate (CID 140771917) is cesium tetracosanoate.
What is the SMILES notation for cesium tetracosanoate?
The canonical SMILES for cesium tetracosanoate is CCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].[Cs+].
What is the InChIKey of cesium tetracosanoate?
The InChIKey is NQZMJOFCNRCICS-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H48O2.Cs/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26;/h2-23H2,1H3,(H,25,26);/q;+1/p-1.
What are the key properties of cesium tetracosanoate?
cesium tetracosanoate has a molecular weight of 500.54 g/mol, XLogP of 4.34, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cesium tetracosanoate is sourced from PubChem (CID 140771917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).