aluminum;azanium;zinc;octadecanoate;tetradecanoate

C32H66AlNO4Zn+4 — CID 19601869

IUPACaluminum;azanium;zinc;octadecanoate;tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Al+3].[NH4+].[Zn+2]
InChIInChI=1S/C18H36O2.C14H28O2.Al.H3N.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;;;/h2-17H2,1H3,(H,19,20);2-13H2,1H3,(H,15,16);;1H3;/q;;+3;;+2/p-1
InChIKeyHCPGQLNSFHRFPE-UHFFFAOYSA-M
MW621.26 g/mol
LogP8.43
Rot. Bonds28

About aluminum;azanium;zinc;octadecanoate;tetradecanoate

aluminum;azanium;zinc;octadecanoate;tetradecanoate (PubChem CID 19601869) has the molecular formula C32H66AlNO4Zn+4 and a molecular weight of 621.26 g/mol. Its IUPAC name is aluminum;azanium;zinc;octadecanoate;tetradecanoate.

Molecular Properties

Compound Namealuminum;azanium;zinc;octadecanoate;tetradecanoate
PubChem CID19601869
Molecular FormulaC32H66AlNO4Zn+4
Molecular Weight621.26 g/mol
Exact Mass619.41
IUPAC Namealuminum;azanium;zinc;octadecanoate;tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Al+3].[NH4+].[Zn+2]
InChIInChI=1S/C18H36O2.C14H28O2.Al.H3N.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;;;/h2-17H2,1H3,(H,19,20);2-13H2,1H3,(H,15,16);;1H3;/q;;+3;;+2/p-1
InChIKeyHCPGQLNSFHRFPE-UHFFFAOYSA-M
XLogP8.43
TPSA116.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds28
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.26
LogP ≤ 58.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

aluminum;zinc;pentakis(octadecanoate)
CID 157349852
dizinc bis(octadecanoate)
CID 21187064
diazanium bis(decanoate)
CID 141069575
octaazanium;octakis(decanoate)
CID 20849288
aluminum tris(dodecanoate)
CID 18764696
aluminum octanoate
CID 23176142
aluminum;lithium;tetrakis(octadecanoate)
CID 159733427
zinc;cobalt(2+);bis(octadecanoate)
CID 159850249
trizinc;bis(octadecanoate);dicarbonate
CID 173241774
azanium;heptanoate;tetrahydrate
CID 172723496
aluminum;calcium;bis(octadecanoate)
CID 19387726
CID 23623890
CID 23623890

Frequently Asked Questions

What is the IUPAC name of aluminum;azanium;zinc;octadecanoate;tetradecanoate?
The IUPAC name of aluminum;azanium;zinc;octadecanoate;tetradecanoate (CID 19601869) is aluminum;azanium;zinc;octadecanoate;tetradecanoate.
What is the SMILES notation for aluminum;azanium;zinc;octadecanoate;tetradecanoate?
The canonical SMILES for aluminum;azanium;zinc;octadecanoate;tetradecanoate is CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Al+3].[NH4+].[Zn+2].
What is the InChIKey of aluminum;azanium;zinc;octadecanoate;tetradecanoate?
The InChIKey is HCPGQLNSFHRFPE-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H36O2.C14H28O2.Al.H3N.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;;;/h2-17H2,1H3,(H,19,20);2-13H2,1H3,(H,15,16);;1H3;/q;;+3;;+2/p-1.
What are the key properties of aluminum;azanium;zinc;octadecanoate;tetradecanoate?
aluminum;azanium;zinc;octadecanoate;tetradecanoate has a molecular weight of 621.26 g/mol, XLogP of 8.43, 28 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;azanium;zinc;octadecanoate;tetradecanoate is sourced from PubChem (CID 19601869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).