aluminum;zinc;pentakis(octadecanoate)

C90H175AlO10Zn — CID 157349852

IUPACaluminum;zinc;pentakis(octadecanoate)
SMILESCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Al+3].[Zn+2]
InChIInChI=1S/5C18H36O2.Al.Zn/c5*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h5*2-17H2,1H3,(H,19,20);;/q;;;;;+3;+2/p-5
InChIKeyBHKBQLFNRMDEAV-UHFFFAOYSA-I
MW1509.75 g/mol
LogP24.61
Rot. Bonds80

About aluminum;zinc;pentakis(octadecanoate)

aluminum;zinc;pentakis(octadecanoate) (PubChem CID 157349852) has the molecular formula C90H175AlO10Zn and a molecular weight of 1509.75 g/mol. Its IUPAC name is aluminum;zinc;pentakis(octadecanoate).

Molecular Properties

Compound Namealuminum;zinc;pentakis(octadecanoate)
PubChem CID157349852
Molecular FormulaC90H175AlO10Zn
Molecular Weight1509.75 g/mol
Exact Mass1507.23
IUPAC Namealuminum;zinc;pentakis(octadecanoate)
SMILESCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Al+3].[Zn+2]
InChIInChI=1S/5C18H36O2.Al.Zn/c5*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h5*2-17H2,1H3,(H,19,20);;/q;;;;;+3;+2/p-5
InChIKeyBHKBQLFNRMDEAV-UHFFFAOYSA-I
XLogP24.61
TPSA200.65 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds80
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001509.75
LogP ≤ 524.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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;azanium;zinc;octadecanoate;tetradecanoate
CID 19601869
aluminum tris(dodecanoate)
CID 18764696
dizinc bis(octadecanoate)
CID 21187064
aluminum octanoate
CID 23176142
aluminum;lithium;tetrakis(octadecanoate)
CID 159733427
trizinc;bis(octadecanoate);dicarbonate
CID 173241774
zinc;cobalt(2+);bis(octadecanoate)
CID 159850249
aluminum;calcium;bis(octadecanoate)
CID 19387726
bis(octadecanoate);platinum(2+)
CID 87233709
CID 23623890
CID 23623890
octadecanoate
CID 3033836
calcium;zinc;barium(2+);hexakis(octadecanoate)
CID 173338441

Frequently Asked Questions

What is the IUPAC name of aluminum;zinc;pentakis(octadecanoate)?
The IUPAC name of aluminum;zinc;pentakis(octadecanoate) (CID 157349852) is aluminum;zinc;pentakis(octadecanoate).
What is the SMILES notation for aluminum;zinc;pentakis(octadecanoate)?
The canonical SMILES for aluminum;zinc;pentakis(octadecanoate) is CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Al+3].[Zn+2].
What is the InChIKey of aluminum;zinc;pentakis(octadecanoate)?
The InChIKey is BHKBQLFNRMDEAV-UHFFFAOYSA-I. The full InChI is InChI=1S/5C18H36O2.Al.Zn/c5*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h5*2-17H2,1H3,(H,19,20);;/q;;;;;+3;+2/p-5.
What are the key properties of aluminum;zinc;pentakis(octadecanoate)?
aluminum;zinc;pentakis(octadecanoate) has a molecular weight of 1509.75 g/mol, XLogP of 24.61, 80 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;zinc;pentakis(octadecanoate) is sourced from PubChem (CID 157349852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).