lithium;potassium;2-(2-ethylpentyl)propanedioate

C10H16KLiO4 — CID 139411964

IUPAClithium;potassium;2-(2-ethylpentyl)propanedioate
SMILESCCCC(CC)CC(C(=O)[O-])C(=O)[O-].[K+].[Li+]
InChIInChI=1S/C10H18O4.K.Li/c1-3-5-7(4-2)6-8(9(11)12)10(13)14;;/h7-8H,3-6H2,1-2H3,(H,11,12)(H,13,14);;/q;2*+1/p-2
InChIKeyCKKHYPPTRSKQBT-UHFFFAOYSA-L
MW246.27 g/mol
LogP-6.67
Rot. Bonds7

About lithium;potassium;2-(2-ethylpentyl)propanedioate

lithium;potassium;2-(2-ethylpentyl)propanedioate (PubChem CID 139411964) has the molecular formula C10H16KLiO4 and a molecular weight of 246.27 g/mol. Its IUPAC name is lithium;potassium;2-(2-ethylpentyl)propanedioate.

Molecular Properties

Compound Namelithium;potassium;2-(2-ethylpentyl)propanedioate
PubChem CID139411964
Molecular FormulaC10H16KLiO4
Molecular Weight246.27 g/mol
Exact Mass246.08
IUPAC Namelithium;potassium;2-(2-ethylpentyl)propanedioate
SMILESCCCC(CC)CC(C(=O)[O-])C(=O)[O-].[K+].[Li+]
InChIInChI=1S/C10H18O4.K.Li/c1-3-5-7(4-2)6-8(9(11)12)10(13)14;;/h7-8H,3-6H2,1-2H3,(H,11,12)(H,13,14);;/q;2*+1/p-2
InChIKeyCKKHYPPTRSKQBT-UHFFFAOYSA-L
XLogP-6.67
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 5-6.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium;potassium;2-(2-ethylpentyl)propanedioate?
The IUPAC name of lithium;potassium;2-(2-ethylpentyl)propanedioate (CID 139411964) is lithium;potassium;2-(2-ethylpentyl)propanedioate.
What is the SMILES notation for lithium;potassium;2-(2-ethylpentyl)propanedioate?
The canonical SMILES for lithium;potassium;2-(2-ethylpentyl)propanedioate is CCCC(CC)CC(C(=O)[O-])C(=O)[O-].[K+].[Li+].
What is the InChIKey of lithium;potassium;2-(2-ethylpentyl)propanedioate?
The InChIKey is CKKHYPPTRSKQBT-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H18O4.K.Li/c1-3-5-7(4-2)6-8(9(11)12)10(13)14;;/h7-8H,3-6H2,1-2H3,(H,11,12)(H,13,14);;/q;2*+1/p-2.
What are the key properties of lithium;potassium;2-(2-ethylpentyl)propanedioate?
lithium;potassium;2-(2-ethylpentyl)propanedioate has a molecular weight of 246.27 g/mol, XLogP of -6.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;potassium;2-(2-ethylpentyl)propanedioate is sourced from PubChem (CID 139411964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).