lithium (3R)-3,5-dihydroxy-3-methylpentanoate

C6H11LiO4 — CID 55296253

IUPAClithium (3R)-3,5-dihydroxy-3-methylpentanoate
SMILESC[C@@](O)(CCO)CC(=O)[O-].[Li+]
InChIInChI=1S/C6H12O4.Li/c1-6(10,2-3-7)4-5(8)9;/h7,10H,2-4H2,1H3,(H,8,9);/q;+1/p-1/t6-;/m1./s1
InChIKeyPVWNXFFXFNEHDZ-FYZOBXCZSA-M
MW154.09 g/mol
LogP-4.74
Rot. Bonds4

About lithium (3R)-3,5-dihydroxy-3-methylpentanoate

lithium (3R)-3,5-dihydroxy-3-methylpentanoate (PubChem CID 55296253) has the molecular formula C6H11LiO4 and a molecular weight of 154.09 g/mol. Its IUPAC name is lithium (3R)-3,5-dihydroxy-3-methylpentanoate.

Molecular Properties

Compound Namelithium (3R)-3,5-dihydroxy-3-methylpentanoate
PubChem CID55296253
Molecular FormulaC6H11LiO4
Molecular Weight154.09 g/mol
Exact Mass154.08
IUPAC Namelithium (3R)-3,5-dihydroxy-3-methylpentanoate
SMILESC[C@@](O)(CCO)CC(=O)[O-].[Li+]
InChIInChI=1S/C6H12O4.Li/c1-6(10,2-3-7)4-5(8)9;/h7,10H,2-4H2,1H3,(H,8,9);/q;+1/p-1/t6-;/m1./s1
InChIKeyPVWNXFFXFNEHDZ-FYZOBXCZSA-M
XLogP-4.74
TPSA80.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.09
LogP ≤ 5-4.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of lithium (3R)-3,5-dihydroxy-3-methylpentanoate?
The IUPAC name of lithium (3R)-3,5-dihydroxy-3-methylpentanoate (CID 55296253) is lithium (3R)-3,5-dihydroxy-3-methylpentanoate.
What is the SMILES notation for lithium (3R)-3,5-dihydroxy-3-methylpentanoate?
The canonical SMILES for lithium (3R)-3,5-dihydroxy-3-methylpentanoate is C[C@@](O)(CCO)CC(=O)[O-].[Li+].
What is the InChIKey of lithium (3R)-3,5-dihydroxy-3-methylpentanoate?
The InChIKey is PVWNXFFXFNEHDZ-FYZOBXCZSA-M. The full InChI is InChI=1S/C6H12O4.Li/c1-6(10,2-3-7)4-5(8)9;/h7,10H,2-4H2,1H3,(H,8,9);/q;+1/p-1/t6-;/m1./s1.
What are the key properties of lithium (3R)-3,5-dihydroxy-3-methylpentanoate?
lithium (3R)-3,5-dihydroxy-3-methylpentanoate has a molecular weight of 154.09 g/mol, XLogP of -4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (3R)-3,5-dihydroxy-3-methylpentanoate is sourced from PubChem (CID 55296253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).