octaazanium;octakis(decanoate)

C80H184N8O16 — CID 20849288

IUPACoctaazanium;octakis(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-].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+]
InChIInChI=1S/8C10H20O2.8H3N/c8*1-2-3-4-5-6-7-8-9-10(11)12;;;;;;;;/h8*2-9H2,1H3,(H,11,12);8*1H3
InChIKeyNCGCEZNNEYIPDU-UHFFFAOYSA-N
MW1514.39 g/mol
LogP18.03
Rot. Bonds64

About octaazanium;octakis(decanoate)

octaazanium;octakis(decanoate) (PubChem CID 20849288) has the molecular formula C80H184N8O16 and a molecular weight of 1514.39 g/mol. Its IUPAC name is octaazanium;octakis(decanoate).

Molecular Properties

Compound Nameoctaazanium;octakis(decanoate)
PubChem CID20849288
Molecular FormulaC80H184N8O16
Molecular Weight1514.39 g/mol
Exact Mass1513.38
IUPAC Nameoctaazanium;octakis(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-].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+]
InChIInChI=1S/8C10H20O2.8H3N/c8*1-2-3-4-5-6-7-8-9-10(11)12;;;;;;;;/h8*2-9H2,1H3,(H,11,12);8*1H3
InChIKeyNCGCEZNNEYIPDU-UHFFFAOYSA-N
XLogP18.03
TPSA613.04 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds64
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001514.39
LogP ≤ 518.03
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Related Compounds

diazanium bis(decanoate)
CID 141069575
azanium;heptanoate;tetrahydrate
CID 172723496
CID 23623890
CID 23623890
octadecanoate
CID 3033836
bis(octadecanoate);platinum(2+)
CID 87233709
aluminum;azanium;zinc;octadecanoate;tetradecanoate
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diazanium;ethanolate;nonanoate
CID 141132654
tripotassium;dodecanoate;hexadecanoate;tetradecanoate
CID 161147915
aluminum tris(dodecanoate)
CID 18764696
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 octaazanium;octakis(decanoate)?
The IUPAC name of octaazanium;octakis(decanoate) (CID 20849288) is octaazanium;octakis(decanoate).
What is the SMILES notation for octaazanium;octakis(decanoate)?
The canonical SMILES for octaazanium;octakis(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-].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].
What is the InChIKey of octaazanium;octakis(decanoate)?
The InChIKey is NCGCEZNNEYIPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/8C10H20O2.8H3N/c8*1-2-3-4-5-6-7-8-9-10(11)12;;;;;;;;/h8*2-9H2,1H3,(H,11,12);8*1H3.
What are the key properties of octaazanium;octakis(decanoate)?
octaazanium;octakis(decanoate) has a molecular weight of 1514.39 g/mol, XLogP of 18.03, 64 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for octaazanium;octakis(decanoate) is sourced from PubChem (CID 20849288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).