lithium 2-ethylbutanoate

C6H11LiO2 — CID 23681528

IUPAClithium 2-ethylbutanoate
SMILESCCC(CC)C(=O)[O-].[Li+]
InChIInChI=1S/C6H12O2.Li/c1-3-5(4-2)6(7)8;/h5H,3-4H2,1-2H3,(H,7,8);/q;+1/p-1
InChIKeyPXMGSGIBDPZRKU-UHFFFAOYSA-M
MW122.09 g/mol
LogP-2.82
Rot. Bonds3

About lithium 2-ethylbutanoate

lithium 2-ethylbutanoate (PubChem CID 23681528) has the molecular formula C6H11LiO2 and a molecular weight of 122.09 g/mol. Its IUPAC name is lithium 2-ethylbutanoate.

Molecular Properties

Compound Namelithium 2-ethylbutanoate
PubChem CID23681528
Molecular FormulaC6H11LiO2
Molecular Weight122.09 g/mol
Exact Mass122.09
IUPAC Namelithium 2-ethylbutanoate
SMILESCCC(CC)C(=O)[O-].[Li+]
InChIInChI=1S/C6H12O2.Li/c1-3-5(4-2)6(7)8;/h5H,3-4H2,1-2H3,(H,7,8);/q;+1/p-1
InChIKeyPXMGSGIBDPZRKU-UHFFFAOYSA-M
XLogP-2.82
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.09
LogP ≤ 5-2.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tris(2-ethylbutanoate);niobium(3+)
CID 173096666
bis(2-ethylbutanoate);propanedial
CID 21247443
sodium 2-(hydroxymethyl)butanoate
CID 23711714
lithium 2-ethyl-4-methylpentanedioate
CID 140808023
dipotassium;2-ethylbutanedioate
CID 172823194
dilithium bis(2-propylpentanoate)
CID 140557398
lithium 2-ethyloctanoate
CID 155386691
bis(copper(1+));bis(2-ethylhexanoate)
CID 21116994
2-ethylhexanoate;tin(2+)
CID 23616604
gallium 2-ethylhexanoate
CID 21118224
CID 21474875
CID 21474875
bis(2-ethylhexanoate);zirconium(2+)
CID 13388286

Frequently Asked Questions

What is the IUPAC name of lithium 2-ethylbutanoate?
The IUPAC name of lithium 2-ethylbutanoate (CID 23681528) is lithium 2-ethylbutanoate.
What is the SMILES notation for lithium 2-ethylbutanoate?
The canonical SMILES for lithium 2-ethylbutanoate is CCC(CC)C(=O)[O-].[Li+].
What is the InChIKey of lithium 2-ethylbutanoate?
The InChIKey is PXMGSGIBDPZRKU-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H12O2.Li/c1-3-5(4-2)6(7)8;/h5H,3-4H2,1-2H3,(H,7,8);/q;+1/p-1.
What are the key properties of lithium 2-ethylbutanoate?
lithium 2-ethylbutanoate has a molecular weight of 122.09 g/mol, XLogP of -2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-ethylbutanoate is sourced from PubChem (CID 23681528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).