lithium;potassium;2-benzyl-2-ethylpropanedioic acid;hydride

C12H16KLiO4 — CID 174967849

IUPAClithium;potassium;2-benzyl-2-ethylpropanedioic acid;hydride
SMILESCCC(Cc1ccccc1)(C(=O)O)C(=O)O.[H-].[H-].[K+].[Li+]
InChIInChI=1S/C12H14O4.K.Li.2H/c1-2-12(10(13)14,11(15)16)8-9-6-4-3-5-7-9;;;;/h3-7H,2,8H2,1H3,(H,13,14)(H,15,16);;;;/q;2*+1;2*-1
InChIKeyCHXLNQRLFYOUAC-UHFFFAOYSA-N
MW270.29 g/mol
LogP-3.97
Rot. Bonds5

About lithium;potassium;2-benzyl-2-ethylpropanedioic acid;hydride

lithium;potassium;2-benzyl-2-ethylpropanedioic acid;hydride (PubChem CID 174967849) has the molecular formula C12H16KLiO4 and a molecular weight of 270.29 g/mol. Its IUPAC name is lithium;potassium;2-benzyl-2-ethylpropanedioic acid;hydride.

Molecular Properties

Compound Namelithium;potassium;2-benzyl-2-ethylpropanedioic acid;hydride
PubChem CID174967849
Molecular FormulaC12H16KLiO4
Molecular Weight270.29 g/mol
Exact Mass270.08
IUPAC Namelithium;potassium;2-benzyl-2-ethylpropanedioic acid;hydride
SMILESCCC(Cc1ccccc1)(C(=O)O)C(=O)O.[H-].[H-].[K+].[Li+]
InChIInChI=1S/C12H14O4.K.Li.2H/c1-2-12(10(13)14,11(15)16)8-9-6-4-3-5-7-9;;;;/h3-7H,2,8H2,1H3,(H,13,14)(H,15,16);;;;/q;2*+1;2*-1
InChIKeyCHXLNQRLFYOUAC-UHFFFAOYSA-N
XLogP-3.97
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 5-3.97
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

lithium;potassium;2-benzyl-2-ethylpropanedioate
CID 139411441
(2S)-2-benzyl-2-methoxycarbonylbutanoic acid
CID 45141431
2-benzyl-2-ethyl-3-oxohexanoic acid
CID 154135206
calcium 2-benzyl-2-ethylpropanedioate
CID 153423943
2-benzyl-2-pentylpropanedioic acid
CID 141045476
2,2-dibenzyl-3-ethoxy-3-oxopropanoic acid
CID 14551025
2-benzyl-2-hydroxybutanoic acid
CID 22013212
2-(3-benzyl-2,4-dioxopentan-3-yl)oxycarbonyl-2-ethylbutanoic acid
CID 132557275
2-benzyl-2-ethoxycarbonylpentanoic acid
CID 103973697
2,2-dibenzyl-3-butan-2-yloxy-3-oxopropanoic acid
CID 70386018
2-benzyl-2-propylpropanediamide
CID 131715569
2-amino-2-benzylpentanoic acid
CID 24974249

Frequently Asked Questions

What is the IUPAC name of lithium;potassium;2-benzyl-2-ethylpropanedioic acid;hydride?
The IUPAC name of lithium;potassium;2-benzyl-2-ethylpropanedioic acid;hydride (CID 174967849) is lithium;potassium;2-benzyl-2-ethylpropanedioic acid;hydride.
What is the SMILES notation for lithium;potassium;2-benzyl-2-ethylpropanedioic acid;hydride?
The canonical SMILES for lithium;potassium;2-benzyl-2-ethylpropanedioic acid;hydride is CCC(Cc1ccccc1)(C(=O)O)C(=O)O.[H-].[H-].[K+].[Li+].
What is the InChIKey of lithium;potassium;2-benzyl-2-ethylpropanedioic acid;hydride?
The InChIKey is CHXLNQRLFYOUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4.K.Li.2H/c1-2-12(10(13)14,11(15)16)8-9-6-4-3-5-7-9;;;;/h3-7H,2,8H2,1H3,(H,13,14)(H,15,16);;;;/q;2*+1;2*-1.
What are the key properties of lithium;potassium;2-benzyl-2-ethylpropanedioic acid;hydride?
lithium;potassium;2-benzyl-2-ethylpropanedioic acid;hydride has a molecular weight of 270.29 g/mol, XLogP of -3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;potassium;2-benzyl-2-ethylpropanedioic acid;hydride is sourced from PubChem (CID 174967849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).