lithium;sodium;2-ethyl-2-phenylpropanedioic acid;hydride

C11H14LiNaO4 — CID 174967816

IUPAClithium;sodium;2-ethyl-2-phenylpropanedioic acid;hydride
SMILESCCC(C(=O)O)(C(=O)O)c1ccccc1.[H-].[H-].[Li+].[Na+]
InChIInChI=1S/C11H12O4.Li.Na.2H/c1-2-11(9(12)13,10(14)15)8-6-4-3-5-7-8;;;;/h3-7H,2H2,1H3,(H,12,13)(H,14,15);;;;/q;2*+1;2*-1
InChIKeyLELSTAAKGWHOFO-UHFFFAOYSA-N
MW240.16 g/mol
LogP-4.26
Rot. Bonds4

About lithium;sodium;2-ethyl-2-phenylpropanedioic acid;hydride

lithium;sodium;2-ethyl-2-phenylpropanedioic acid;hydride (PubChem CID 174967816) has the molecular formula C11H14LiNaO4 and a molecular weight of 240.16 g/mol. Its IUPAC name is lithium;sodium;2-ethyl-2-phenylpropanedioic acid;hydride.

Molecular Properties

Compound Namelithium;sodium;2-ethyl-2-phenylpropanedioic acid;hydride
PubChem CID174967816
Molecular FormulaC11H14LiNaO4
Molecular Weight240.16 g/mol
Exact Mass240.09
IUPAC Namelithium;sodium;2-ethyl-2-phenylpropanedioic acid;hydride
SMILESCCC(C(=O)O)(C(=O)O)c1ccccc1.[H-].[H-].[Li+].[Na+]
InChIInChI=1S/C11H12O4.Li.Na.2H/c1-2-11(9(12)13,10(14)15)8-6-4-3-5-7-8;;;;/h3-7H,2H2,1H3,(H,12,13)(H,14,15);;;;/q;2*+1;2*-1
InChIKeyLELSTAAKGWHOFO-UHFFFAOYSA-N
XLogP-4.26
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.16
LogP ≤ 5-4.26
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

2-carbonochloridoyl-2-phenylbutanoic acid
CID 82254336
potassium;sodium;2-dodecyl-2-phenylpropanedioic acid;hydride
CID 174968534
calcium;hydride;2-octyl-2-phenylpropanedioic acid
CID 174969095
calcium;2-hexyl-2-phenylpropanedioic acid;hydride
CID 174967829
2-methylsulfonyl-2-phenylbutanoic acid
CID 177255182
barium(2+);2-decyl-2-phenylpropanedioic acid;hydride
CID 174968847
magnesium;2-hexyl-2-phenylpropanedioic acid;hydride
CID 174968694
2-ethyl-2-(3-methoxyphenyl)propanedioic acid
CID 165450739
2-nonyl-2-phenylpropanedioic acid
CID 70554602
sodium 2-ethoxycarbonyl-2-phenylbutanoate
CID 19003499
dipropan-2-yl 2-ethyl-2-phenylpropanedioate
CID 118088427
2-(3-phenoxybenzoyl)-2-phenylbutanoic acid
CID 57232361

Frequently Asked Questions

What is the IUPAC name of lithium;sodium;2-ethyl-2-phenylpropanedioic acid;hydride?
The IUPAC name of lithium;sodium;2-ethyl-2-phenylpropanedioic acid;hydride (CID 174967816) is lithium;sodium;2-ethyl-2-phenylpropanedioic acid;hydride.
What is the SMILES notation for lithium;sodium;2-ethyl-2-phenylpropanedioic acid;hydride?
The canonical SMILES for lithium;sodium;2-ethyl-2-phenylpropanedioic acid;hydride is CCC(C(=O)O)(C(=O)O)c1ccccc1.[H-].[H-].[Li+].[Na+].
What is the InChIKey of lithium;sodium;2-ethyl-2-phenylpropanedioic acid;hydride?
The InChIKey is LELSTAAKGWHOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4.Li.Na.2H/c1-2-11(9(12)13,10(14)15)8-6-4-3-5-7-8;;;;/h3-7H,2H2,1H3,(H,12,13)(H,14,15);;;;/q;2*+1;2*-1.
What are the key properties of lithium;sodium;2-ethyl-2-phenylpropanedioic acid;hydride?
lithium;sodium;2-ethyl-2-phenylpropanedioic acid;hydride has a molecular weight of 240.16 g/mol, XLogP of -4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;sodium;2-ethyl-2-phenylpropanedioic acid;hydride is sourced from PubChem (CID 174967816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).