aluminum;lithium;tetrakis(octadecanoate)

C72H140AlLiO8 — CID 159733427

IUPACaluminum;lithium;tetrakis(octadecanoate)
SMILESCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Al+3].[Li+]
InChIInChI=1S/4C18H36O2.Al.Li/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h4*2-17H2,1H3,(H,19,20);;/q;;;;+3;+1/p-4
InChIKeyNBNIYKZTHVCKLW-UHFFFAOYSA-J
MW1167.83 g/mol
LogP16.61
Rot. Bonds64

About aluminum;lithium;tetrakis(octadecanoate)

aluminum;lithium;tetrakis(octadecanoate) (PubChem CID 159733427) has the molecular formula C72H140AlLiO8 and a molecular weight of 1167.83 g/mol. Its IUPAC name is aluminum;lithium;tetrakis(octadecanoate).

Molecular Properties

Compound Namealuminum;lithium;tetrakis(octadecanoate)
PubChem CID159733427
Molecular FormulaC72H140AlLiO8
Molecular Weight1167.83 g/mol
Exact Mass1167.05
IUPAC Namealuminum;lithium;tetrakis(octadecanoate)
SMILESCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Al+3].[Li+]
InChIInChI=1S/4C18H36O2.Al.Li/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h4*2-17H2,1H3,(H,19,20);;/q;;;;+3;+1/p-4
InChIKeyNBNIYKZTHVCKLW-UHFFFAOYSA-J
XLogP16.61
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds64
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001167.83
LogP ≤ 516.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

aluminum tris(dodecanoate)
CID 18764696
aluminum octanoate
CID 23176142
lithium octatriacontanoate
CID 139791501
lithium nonapentacontanoate
CID 139791529
aluminum;calcium;bis(octadecanoate)
CID 19387726
aluminum;zinc;pentakis(octadecanoate)
CID 157349852
lithium;sodium;bis(octadecanoate)
CID 159275770
CID 23623890
CID 23623890
octadecanoate
CID 3033836
bis(octadecanoate);platinum(2+)
CID 87233709
aluminum;azanium;zinc;octadecanoate;tetradecanoate
CID 19601869
tripotassium;dodecanoate;hexadecanoate;tetradecanoate
CID 161147915

Frequently Asked Questions

What is the IUPAC name of aluminum;lithium;tetrakis(octadecanoate)?
The IUPAC name of aluminum;lithium;tetrakis(octadecanoate) (CID 159733427) is aluminum;lithium;tetrakis(octadecanoate).
What is the SMILES notation for aluminum;lithium;tetrakis(octadecanoate)?
The canonical SMILES for aluminum;lithium;tetrakis(octadecanoate) is CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Al+3].[Li+].
What is the InChIKey of aluminum;lithium;tetrakis(octadecanoate)?
The InChIKey is NBNIYKZTHVCKLW-UHFFFAOYSA-J. The full InChI is InChI=1S/4C18H36O2.Al.Li/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h4*2-17H2,1H3,(H,19,20);;/q;;;;+3;+1/p-4.
What are the key properties of aluminum;lithium;tetrakis(octadecanoate)?
aluminum;lithium;tetrakis(octadecanoate) has a molecular weight of 1167.83 g/mol, XLogP of 16.61, 64 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;lithium;tetrakis(octadecanoate) is sourced from PubChem (CID 159733427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).