lithium;sodium;2-methylpropanoate;propanoate

C7H12LiNaO4 — CID 22366595

IUPAClithium;sodium;2-methylpropanoate;propanoate
SMILESCC(C)C(=O)[O-].CCC(=O)[O-].[Li+].[Na+]
InChIInChI=1S/C4H8O2.C3H6O2.Li.Na/c1-3(2)4(5)6;1-2-3(4)5;;/h3H,1-2H3,(H,5,6);2H2,1H3,(H,4,5);;/q;;2*+1/p-2
InChIKeyRCDHUYAQUPDKJG-UHFFFAOYSA-L
MW190.10 g/mol
LogP-7.45
Rot. Bonds2

About lithium;sodium;2-methylpropanoate;propanoate

lithium;sodium;2-methylpropanoate;propanoate (PubChem CID 22366595) has the molecular formula C7H12LiNaO4 and a molecular weight of 190.10 g/mol. Its IUPAC name is lithium;sodium;2-methylpropanoate;propanoate.

Molecular Properties

Compound Namelithium;sodium;2-methylpropanoate;propanoate
PubChem CID22366595
Molecular FormulaC7H12LiNaO4
Molecular Weight190.10 g/mol
Exact Mass190.08
IUPAC Namelithium;sodium;2-methylpropanoate;propanoate
SMILESCC(C)C(=O)[O-].CCC(=O)[O-].[Li+].[Na+]
InChIInChI=1S/C4H8O2.C3H6O2.Li.Na/c1-3(2)4(5)6;1-2-3(4)5;;/h3H,1-2H3,(H,5,6);2H2,1H3,(H,4,5);;/q;;2*+1/p-2
InChIKeyRCDHUYAQUPDKJG-UHFFFAOYSA-L
XLogP-7.45
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.10
LogP ≤ 5-7.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

dilithium bis(2-methylpropanoate)
CID 86626069
trisodium;propanoate
CID 86625665
barium(2+);bis(2-methylpropanoate)
CID 23219604
tris(2-methylpropanoate);thallium(3+)
CID 173444614
calcium bis(2-methylpropanoate)
CID 102602609
propanoate;uranium(4+)
CID 51035197
propanoate;tin(4+)
CID 167712674
propanoate;hydrate
CID 19032208
indium(1+);propanoate
CID 101213769
CID 57352970
CID 57352970
propanoate;rubidium(1+)
CID 23716263
europium(2+);propanoate
CID 88778777

Frequently Asked Questions

What is the IUPAC name of lithium;sodium;2-methylpropanoate;propanoate?
The IUPAC name of lithium;sodium;2-methylpropanoate;propanoate (CID 22366595) is lithium;sodium;2-methylpropanoate;propanoate.
What is the SMILES notation for lithium;sodium;2-methylpropanoate;propanoate?
The canonical SMILES for lithium;sodium;2-methylpropanoate;propanoate is CC(C)C(=O)[O-].CCC(=O)[O-].[Li+].[Na+].
What is the InChIKey of lithium;sodium;2-methylpropanoate;propanoate?
The InChIKey is RCDHUYAQUPDKJG-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H8O2.C3H6O2.Li.Na/c1-3(2)4(5)6;1-2-3(4)5;;/h3H,1-2H3,(H,5,6);2H2,1H3,(H,4,5);;/q;;2*+1/p-2.
What are the key properties of lithium;sodium;2-methylpropanoate;propanoate?
lithium;sodium;2-methylpropanoate;propanoate has a molecular weight of 190.10 g/mol, XLogP of -7.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;sodium;2-methylpropanoate;propanoate is sourced from PubChem (CID 22366595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).