lithium 2,4-dihydroxy-3,3-dimethylbutanoate

C6H11LiO4 — CID 23668631

IUPAClithium 2,4-dihydroxy-3,3-dimethylbutanoate
SMILESCC(C)(CO)C(O)C(=O)[O-].[Li+]
InChIInChI=1S/C6H12O4.Li/c1-6(2,3-7)4(8)5(9)10;/h4,7-8H,3H2,1-2H3,(H,9,10);/q;+1/p-1
InChIKeySHALEYHZRCFWGT-UHFFFAOYSA-M
MW154.09 g/mol
LogP-4.88
Rot. Bonds3

About lithium 2,4-dihydroxy-3,3-dimethylbutanoate

lithium 2,4-dihydroxy-3,3-dimethylbutanoate (PubChem CID 23668631) has the molecular formula C6H11LiO4 and a molecular weight of 154.09 g/mol. Its IUPAC name is lithium 2,4-dihydroxy-3,3-dimethylbutanoate.

Molecular Properties

Compound Namelithium 2,4-dihydroxy-3,3-dimethylbutanoate
PubChem CID23668631
Molecular FormulaC6H11LiO4
Molecular Weight154.09 g/mol
Exact Mass154.08
IUPAC Namelithium 2,4-dihydroxy-3,3-dimethylbutanoate
SMILESCC(C)(CO)C(O)C(=O)[O-].[Li+]
InChIInChI=1S/C6H12O4.Li/c1-6(2,3-7)4(8)5(9)10;/h4,7-8H,3H2,1-2H3,(H,9,10);/q;+1/p-1
InChIKeySHALEYHZRCFWGT-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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Frequently Asked Questions

What is the IUPAC name of lithium 2,4-dihydroxy-3,3-dimethylbutanoate?
The IUPAC name of lithium 2,4-dihydroxy-3,3-dimethylbutanoate (CID 23668631) is lithium 2,4-dihydroxy-3,3-dimethylbutanoate.
What is the SMILES notation for lithium 2,4-dihydroxy-3,3-dimethylbutanoate?
The canonical SMILES for lithium 2,4-dihydroxy-3,3-dimethylbutanoate is CC(C)(CO)C(O)C(=O)[O-].[Li+].
What is the InChIKey of lithium 2,4-dihydroxy-3,3-dimethylbutanoate?
The InChIKey is SHALEYHZRCFWGT-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H12O4.Li/c1-6(2,3-7)4(8)5(9)10;/h4,7-8H,3H2,1-2H3,(H,9,10);/q;+1/p-1.
What are the key properties of lithium 2,4-dihydroxy-3,3-dimethylbutanoate?
lithium 2,4-dihydroxy-3,3-dimethylbutanoate 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 2,4-dihydroxy-3,3-dimethylbutanoate is sourced from PubChem (CID 23668631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).