cesium tetradecanoate

C14H27CsO2 — CID 23690793

IUPACcesium tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)[O-].[Cs+]
InChIInChI=1S/C14H28O2.Cs/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;/h2-13H2,1H3,(H,15,16);/q;+1/p-1
InChIKeyGUGOWSVMOVIQLV-UHFFFAOYSA-M
MW360.27 g/mol
LogP0.44
Rot. Bonds12

About cesium tetradecanoate

cesium tetradecanoate (PubChem CID 23690793) has the molecular formula C14H27CsO2 and a molecular weight of 360.27 g/mol. Its IUPAC name is cesium tetradecanoate.

Molecular Properties

Compound Namecesium tetradecanoate
PubChem CID23690793
Molecular FormulaC14H27CsO2
Molecular Weight360.27 g/mol
Exact Mass360.11
IUPAC Namecesium tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)[O-].[Cs+]
InChIInChI=1S/C14H28O2.Cs/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;/h2-13H2,1H3,(H,15,16);/q;+1/p-1
InChIKeyGUGOWSVMOVIQLV-UHFFFAOYSA-M
XLogP0.44
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.27
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cesium tetradecanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cesium nonanoate
CID 140771880
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 tetradecanoate?
The IUPAC name of cesium tetradecanoate (CID 23690793) is cesium tetradecanoate.
What is the SMILES notation for cesium tetradecanoate?
The canonical SMILES for cesium tetradecanoate is CCCCCCCCCCCCCC(=O)[O-].[Cs+].
What is the InChIKey of cesium tetradecanoate?
The InChIKey is GUGOWSVMOVIQLV-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H28O2.Cs/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;/h2-13H2,1H3,(H,15,16);/q;+1/p-1.
What are the key properties of cesium tetradecanoate?
cesium tetradecanoate has a molecular weight of 360.27 g/mol, XLogP of 0.44, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cesium tetradecanoate is sourced from PubChem (CID 23690793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).