lithium;sodium;bis(octadecanoate)

C36H70LiNaO4 — CID 159275770

IUPAClithium;sodium;bis(octadecanoate)
SMILESCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Li+].[Na+]
InChIInChI=1S/2C18H36O2.Li.Na/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h2*2-17H2,1H3,(H,19,20);;/q;;2*+1/p-2
InChIKeyKYHBVWCZJXBOJC-UHFFFAOYSA-L
MW596.88 g/mol
LogP4.00
Rot. Bonds32

About lithium;sodium;bis(octadecanoate)

lithium;sodium;bis(octadecanoate) (PubChem CID 159275770) has the molecular formula C36H70LiNaO4 and a molecular weight of 596.88 g/mol. Its IUPAC name is lithium;sodium;bis(octadecanoate).

Molecular Properties

Compound Namelithium;sodium;bis(octadecanoate)
PubChem CID159275770
Molecular FormulaC36H70LiNaO4
Molecular Weight596.88 g/mol
Exact Mass596.53
IUPAC Namelithium;sodium;bis(octadecanoate)
SMILESCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Li+].[Na+]
InChIInChI=1S/2C18H36O2.Li.Na/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h2*2-17H2,1H3,(H,19,20);;/q;;2*+1/p-2
InChIKeyKYHBVWCZJXBOJC-UHFFFAOYSA-L
XLogP4.00
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds32
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500596.88
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium pentadecanoate
CID 23663638
sodium heptadecanoate
CID 23663632
lithium octatriacontanoate
CID 139791501
lithium nonapentacontanoate
CID 139791529
sodium hentriacontanoate
CID 139987799
sodium;azane;dodecanoate
CID 23690680
sodium;carbane;octanoate
CID 88711912
trisodium;octadecanoate;carbonate
CID 162024794
aluminum;lithium;tetrakis(octadecanoate)
CID 159733427
potassium;sodium;bis(tetradecanoate)
CID 158769581
disodium;hexadecanoate;hydride
CID 175497394
CID 23623890
CID 23623890

Frequently Asked Questions

What is the IUPAC name of lithium;sodium;bis(octadecanoate)?
The IUPAC name of lithium;sodium;bis(octadecanoate) (CID 159275770) is lithium;sodium;bis(octadecanoate).
What is the SMILES notation for lithium;sodium;bis(octadecanoate)?
The canonical SMILES for lithium;sodium;bis(octadecanoate) is CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Li+].[Na+].
What is the InChIKey of lithium;sodium;bis(octadecanoate)?
The InChIKey is KYHBVWCZJXBOJC-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H36O2.Li.Na/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h2*2-17H2,1H3,(H,19,20);;/q;;2*+1/p-2.
What are the key properties of lithium;sodium;bis(octadecanoate)?
lithium;sodium;bis(octadecanoate) has a molecular weight of 596.88 g/mol, XLogP of 4.00, 32 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;sodium;bis(octadecanoate) is sourced from PubChem (CID 159275770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).