lithium 3-hydroxy-2-(1-hydroxyethyl)butanoate

C6H11LiO4 — CID 175336599

IUPAClithium 3-hydroxy-2-(1-hydroxyethyl)butanoate
SMILESCC(O)C(C(=O)[O-])C(C)O.[Li+]
InChIInChI=1S/C6H12O4.Li/c1-3(7)5(4(2)8)6(9)10;/h3-5,7-8H,1-2H3,(H,9,10);/q;+1/p-1
InChIKeyXTGOOTRTKFEOGN-UHFFFAOYSA-M
MW154.09 g/mol
LogP-4.88
Rot. Bonds3

About lithium 3-hydroxy-2-(1-hydroxyethyl)butanoate

lithium 3-hydroxy-2-(1-hydroxyethyl)butanoate (PubChem CID 175336599) has the molecular formula C6H11LiO4 and a molecular weight of 154.09 g/mol. Its IUPAC name is lithium 3-hydroxy-2-(1-hydroxyethyl)butanoate.

Molecular Properties

Compound Namelithium 3-hydroxy-2-(1-hydroxyethyl)butanoate
PubChem CID175336599
Molecular FormulaC6H11LiO4
Molecular Weight154.09 g/mol
Exact Mass154.08
IUPAC Namelithium 3-hydroxy-2-(1-hydroxyethyl)butanoate
SMILESCC(O)C(C(=O)[O-])C(C)O.[Li+]
InChIInChI=1S/C6H12O4.Li/c1-3(7)5(4(2)8)6(9)10;/h3-5,7-8H,1-2H3,(H,9,10);/q;+1/p-1
InChIKeyXTGOOTRTKFEOGN-UHFFFAOYSA-M
XLogP-4.88
TPSA80.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.09
LogP ≤ 5-4.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

dilithium bis(2-methylpropanoate)
CID 86626069
dilithium;2-methylpropanedioate
CID 87066943
(2S,3R)-3-hydroxy-2-methylbutanoate
CID 18654775
tris(2-hydroxypropanoate);zirconium(3+)
CID 3048680
aluminum tris((2R)-2-hydroxypropanoate)
CID 175713416
silver (2R)-2-hydroxypropanoate
CID 14178856
potassium 2-hydroxypropanoate
CID 23671663
copper bis(2-hydroxypropanoate)
CID 13145
iodanium 2-hydroxypropanoate
CID 158316585
bis(2-hydroxypropanoate);nickel(2+)
CID 15920056
2-hydroxypropanoate;tantalum(5+)
CID 172796362
strontium bis(2-hydroxypropanoate)
CID 91886528

Frequently Asked Questions

What is the IUPAC name of lithium 3-hydroxy-2-(1-hydroxyethyl)butanoate?
The IUPAC name of lithium 3-hydroxy-2-(1-hydroxyethyl)butanoate (CID 175336599) is lithium 3-hydroxy-2-(1-hydroxyethyl)butanoate.
What is the SMILES notation for lithium 3-hydroxy-2-(1-hydroxyethyl)butanoate?
The canonical SMILES for lithium 3-hydroxy-2-(1-hydroxyethyl)butanoate is CC(O)C(C(=O)[O-])C(C)O.[Li+].
What is the InChIKey of lithium 3-hydroxy-2-(1-hydroxyethyl)butanoate?
The InChIKey is XTGOOTRTKFEOGN-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H12O4.Li/c1-3(7)5(4(2)8)6(9)10;/h3-5,7-8H,1-2H3,(H,9,10);/q;+1/p-1.
What are the key properties of lithium 3-hydroxy-2-(1-hydroxyethyl)butanoate?
lithium 3-hydroxy-2-(1-hydroxyethyl)butanoate has a molecular weight of 154.09 g/mol, XLogP of -4.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3-hydroxy-2-(1-hydroxyethyl)butanoate is sourced from PubChem (CID 175336599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).