lithium (3R)-3,5-dihydroxy-4,4-dimethylpentanoate

C7H13LiO4 — CID 23703538

IUPAClithium (3R)-3,5-dihydroxy-4,4-dimethylpentanoate
SMILESCC(C)(CO)[C@H](O)CC(=O)[O-].[Li+]
InChIInChI=1S/C7H14O4.Li/c1-7(2,4-8)5(9)3-6(10)11;/h5,8-9H,3-4H2,1-2H3,(H,10,11);/q;+1/p-1/t5-;/m1./s1
InChIKeyQFUVDDMQJVUOHZ-NUBCRITNSA-M
MW168.12 g/mol
LogP-4.49
Rot. Bonds4

About lithium (3R)-3,5-dihydroxy-4,4-dimethylpentanoate

lithium (3R)-3,5-dihydroxy-4,4-dimethylpentanoate (PubChem CID 23703538) has the molecular formula C7H13LiO4 and a molecular weight of 168.12 g/mol. Its IUPAC name is lithium (3R)-3,5-dihydroxy-4,4-dimethylpentanoate.

Molecular Properties

Compound Namelithium (3R)-3,5-dihydroxy-4,4-dimethylpentanoate
PubChem CID23703538
Molecular FormulaC7H13LiO4
Molecular Weight168.12 g/mol
Exact Mass168.10
IUPAC Namelithium (3R)-3,5-dihydroxy-4,4-dimethylpentanoate
SMILESCC(C)(CO)[C@H](O)CC(=O)[O-].[Li+]
InChIInChI=1S/C7H14O4.Li/c1-7(2,4-8)5(9)3-6(10)11;/h5,8-9H,3-4H2,1-2H3,(H,10,11);/q;+1/p-1/t5-;/m1./s1
InChIKeyQFUVDDMQJVUOHZ-NUBCRITNSA-M
XLogP-4.49
TPSA80.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.12
LogP ≤ 5-4.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

lithium 2,4-dihydroxy-3,3-dimethylbutanoate
CID 23668631
2,4-dihydroxy-3,3-dimethylbutanoate
CID 3283973
3-[[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate
CID 6997253
bis(2-methylpropanoate);2,2,4-trimethylpentane-1,3-diol
CID 53400269
calcium 2,2,3-trihydroxypentanedioate
CID 18704349
calcium;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate;3-[[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate
CID 155678458
calcium 3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate
CID 23615430
tetrakis(3-methylbutanoate);zirconium(4+)
CID 158092417
calcium bis(3-methylbutanoate)
CID 6453767
CID 131881947
CID 131881947
sodium;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate;hydrate
CID 141239116
calcium;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate;methanolate
CID 163216955

Frequently Asked Questions

What is the IUPAC name of lithium (3R)-3,5-dihydroxy-4,4-dimethylpentanoate?
The IUPAC name of lithium (3R)-3,5-dihydroxy-4,4-dimethylpentanoate (CID 23703538) is lithium (3R)-3,5-dihydroxy-4,4-dimethylpentanoate.
What is the SMILES notation for lithium (3R)-3,5-dihydroxy-4,4-dimethylpentanoate?
The canonical SMILES for lithium (3R)-3,5-dihydroxy-4,4-dimethylpentanoate is CC(C)(CO)[C@H](O)CC(=O)[O-].[Li+].
What is the InChIKey of lithium (3R)-3,5-dihydroxy-4,4-dimethylpentanoate?
The InChIKey is QFUVDDMQJVUOHZ-NUBCRITNSA-M. The full InChI is InChI=1S/C7H14O4.Li/c1-7(2,4-8)5(9)3-6(10)11;/h5,8-9H,3-4H2,1-2H3,(H,10,11);/q;+1/p-1/t5-;/m1./s1.
What are the key properties of lithium (3R)-3,5-dihydroxy-4,4-dimethylpentanoate?
lithium (3R)-3,5-dihydroxy-4,4-dimethylpentanoate has a molecular weight of 168.12 g/mol, XLogP of -4.49, 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-4,4-dimethylpentanoate is sourced from PubChem (CID 23703538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).