pentakis(cadmium(2+));decakis(decanoate)

C100H190Cd5O20 — CID 157126862

IUPACpentakis(cadmium(2+));decakis(decanoate)
SMILESCCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].[Cd+2].[Cd+2].[Cd+2].[Cd+2].[Cd+2]
InChIInChI=1S/10C10H20O2.5Cd/c10*1-2-3-4-5-6-7-8-9-10(11)12;;;;;/h10*2-9H2,1H3,(H,11,12);;;;;/q;;;;;;;;;;5*+2/p-10
InChIKeyAIPKFTMNQCKYNW-UHFFFAOYSA-D
MW2274.66 g/mol
LogP18.76
Rot. Bonds80

About pentakis(cadmium(2+));decakis(decanoate)

pentakis(cadmium(2+));decakis(decanoate) (PubChem CID 157126862) has the molecular formula C100H190Cd5O20 and a molecular weight of 2274.66 g/mol. Its IUPAC name is pentakis(cadmium(2+));decakis(decanoate).

Molecular Properties

Compound Namepentakis(cadmium(2+));decakis(decanoate)
PubChem CID157126862
Molecular FormulaC100H190Cd5O20
Molecular Weight2274.66 g/mol
Exact Mass2280.90
IUPAC Namepentakis(cadmium(2+));decakis(decanoate)
SMILESCCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].[Cd+2].[Cd+2].[Cd+2].[Cd+2].[Cd+2]
InChIInChI=1S/10C10H20O2.5Cd/c10*1-2-3-4-5-6-7-8-9-10(11)12;;;;;/h10*2-9H2,1H3,(H,11,12);;;;;/q;;;;;;;;;;5*+2/p-10
InChIKeyAIPKFTMNQCKYNW-UHFFFAOYSA-D
XLogP18.76
TPSA401.30 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds80
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002274.66
LogP ≤ 518.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

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Related Compounds

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CID 23623890
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magnesium;docosanoate;octadecanoate
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Frequently Asked Questions

What is the IUPAC name of pentakis(cadmium(2+));decakis(decanoate)?
The IUPAC name of pentakis(cadmium(2+));decakis(decanoate) (CID 157126862) is pentakis(cadmium(2+));decakis(decanoate).
What is the SMILES notation for pentakis(cadmium(2+));decakis(decanoate)?
The canonical SMILES for pentakis(cadmium(2+));decakis(decanoate) is CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].[Cd+2].[Cd+2].[Cd+2].[Cd+2].[Cd+2].
What is the InChIKey of pentakis(cadmium(2+));decakis(decanoate)?
The InChIKey is AIPKFTMNQCKYNW-UHFFFAOYSA-D. The full InChI is InChI=1S/10C10H20O2.5Cd/c10*1-2-3-4-5-6-7-8-9-10(11)12;;;;;/h10*2-9H2,1H3,(H,11,12);;;;;/q;;;;;;;;;;5*+2/p-10.
What are the key properties of pentakis(cadmium(2+));decakis(decanoate)?
pentakis(cadmium(2+));decakis(decanoate) has a molecular weight of 2274.66 g/mol, XLogP of 18.76, 80 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(cadmium(2+));decakis(decanoate) is sourced from PubChem (CID 157126862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).