lithium;potassium;2-tert-butyl-2-phenylpropanedioic acid;hydride

C13H18KLiO4 — CID 174967974

IUPAClithium;potassium;2-tert-butyl-2-phenylpropanedioic acid;hydride
SMILESCC(C)(C)C(C(=O)O)(C(=O)O)c1ccccc1.[H-].[H-].[K+].[Li+]
InChIInChI=1S/C13H16O4.K.Li.2H/c1-12(2,3)13(10(14)15,11(16)17)9-7-5-4-6-8-9;;;;/h4-8H,1-3H3,(H,14,15)(H,16,17);;;;/q;2*+1;2*-1
InChIKeyKVHWVRPGDRHOTG-UHFFFAOYSA-N
MW284.32 g/mol
LogP-3.63
Rot. Bonds3

About lithium;potassium;2-tert-butyl-2-phenylpropanedioic acid;hydride

lithium;potassium;2-tert-butyl-2-phenylpropanedioic acid;hydride (PubChem CID 174967974) has the molecular formula C13H18KLiO4 and a molecular weight of 284.32 g/mol. Its IUPAC name is lithium;potassium;2-tert-butyl-2-phenylpropanedioic acid;hydride.

Molecular Properties

Compound Namelithium;potassium;2-tert-butyl-2-phenylpropanedioic acid;hydride
PubChem CID174967974
Molecular FormulaC13H18KLiO4
Molecular Weight284.32 g/mol
Exact Mass284.10
IUPAC Namelithium;potassium;2-tert-butyl-2-phenylpropanedioic acid;hydride
SMILESCC(C)(C)C(C(=O)O)(C(=O)O)c1ccccc1.[H-].[H-].[K+].[Li+]
InChIInChI=1S/C13H16O4.K.Li.2H/c1-12(2,3)13(10(14)15,11(16)17)9-7-5-4-6-8-9;;;;/h4-8H,1-3H3,(H,14,15)(H,16,17);;;;/q;2*+1;2*-1
InChIKeyKVHWVRPGDRHOTG-UHFFFAOYSA-N
XLogP-3.63
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 5-3.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

calcium 2-tert-butyl-2-phenylpropanedioate
CID 153423901
magnesium;hydride;2-methyl-2-phenylpropanoic acid
CID 174669783
lithium;tert-butylbenzene;hydride;sulfuric acid
CID 173469295
(2R)-2-hydroxy-2-phenylpropanoic acid
CID 736858
ethane;2-hydroxy-2,2-diphenylacetic acid
CID 143307418
lithium;sodium;2-ethyl-2-phenylpropanedioic acid;hydride
CID 174967816
lithium;sodium;hydride;2-phenyl-2-propan-2-ylpropanedioic acid
CID 174968652
3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butanoic acid
CID 90031724
3-hydroxy-2,2-dimethyl-3-phenylbutanoic acid
CID 12570468
2-hydroxy-2-methylpropanoic acid;2-hydroxy-2-phenylpropanoic acid
CID 70572731
hydrogen peroxide;2,3,3-trimethylbutan-2-ylbenzene
CID 23026515
lithium;1,1-diphenylethanol;diphenylmethanone;ethane;hydride
CID 159858398

Frequently Asked Questions

What is the IUPAC name of lithium;potassium;2-tert-butyl-2-phenylpropanedioic acid;hydride?
The IUPAC name of lithium;potassium;2-tert-butyl-2-phenylpropanedioic acid;hydride (CID 174967974) is lithium;potassium;2-tert-butyl-2-phenylpropanedioic acid;hydride.
What is the SMILES notation for lithium;potassium;2-tert-butyl-2-phenylpropanedioic acid;hydride?
The canonical SMILES for lithium;potassium;2-tert-butyl-2-phenylpropanedioic acid;hydride is CC(C)(C)C(C(=O)O)(C(=O)O)c1ccccc1.[H-].[H-].[K+].[Li+].
What is the InChIKey of lithium;potassium;2-tert-butyl-2-phenylpropanedioic acid;hydride?
The InChIKey is KVHWVRPGDRHOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4.K.Li.2H/c1-12(2,3)13(10(14)15,11(16)17)9-7-5-4-6-8-9;;;;/h4-8H,1-3H3,(H,14,15)(H,16,17);;;;/q;2*+1;2*-1.
What are the key properties of lithium;potassium;2-tert-butyl-2-phenylpropanedioic acid;hydride?
lithium;potassium;2-tert-butyl-2-phenylpropanedioic acid;hydride has a molecular weight of 284.32 g/mol, XLogP of -3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;potassium;2-tert-butyl-2-phenylpropanedioic acid;hydride is sourced from PubChem (CID 174967974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).