lithium;potassium;2-propylpropanedioate

C6H8KLiO4 — CID 139411515

IUPAClithium;potassium;2-propylpropanedioate
SMILESCCCC(C(=O)[O-])C(=O)[O-].[K+].[Li+]
InChIInChI=1S/C6H10O4.K.Li/c1-2-3-4(5(7)8)6(9)10;;/h4H,2-3H2,1H3,(H,7,8)(H,9,10);;/q;2*+1/p-2
InChIKeyKXYAVIRQOOGKJL-UHFFFAOYSA-L
MW190.16 g/mol
LogP-8.09
Rot. Bonds4

About lithium;potassium;2-propylpropanedioate

lithium;potassium;2-propylpropanedioate (PubChem CID 139411515) has the molecular formula C6H8KLiO4 and a molecular weight of 190.16 g/mol. Its IUPAC name is lithium;potassium;2-propylpropanedioate.

Molecular Properties

Compound Namelithium;potassium;2-propylpropanedioate
PubChem CID139411515
Molecular FormulaC6H8KLiO4
Molecular Weight190.16 g/mol
Exact Mass190.02
IUPAC Namelithium;potassium;2-propylpropanedioate
SMILESCCCC(C(=O)[O-])C(=O)[O-].[K+].[Li+]
InChIInChI=1S/C6H10O4.K.Li/c1-2-3-4(5(7)8)6(9)10;;/h4H,2-3H2,1H3,(H,7,8)(H,9,10);;/q;2*+1/p-2
InChIKeyKXYAVIRQOOGKJL-UHFFFAOYSA-L
XLogP-8.09
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 5-8.09
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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Related Compounds

lithium;potassium;2-octylpropanedioate
CID 139411809
lithium;potassium;2-decylpropanedioate
CID 139411999
dilithium;2-pentylpropanedioate
CID 139411543
lithium;potassium;2-(2-ethylpentyl)propanedioate
CID 139411964
dilithium;2-decylpropanedioate
CID 139411609
potassium;sodium;2-octylpropanedioate
CID 139411906
dilithium bis(2-propylpentanoate)
CID 140557398
lithium 2-methylpentanoate
CID 122554466
disodium;2-undecylpropanedioate
CID 139411931
disilver;2-nonylpropanedioate
CID 22008246
diazanium;2-hexadecylpropanedioate
CID 156776490
dilithium;2-oxo-4-propylpentanedioate
CID 11805719

Frequently Asked Questions

What is the IUPAC name of lithium;potassium;2-propylpropanedioate?
The IUPAC name of lithium;potassium;2-propylpropanedioate (CID 139411515) is lithium;potassium;2-propylpropanedioate.
What is the SMILES notation for lithium;potassium;2-propylpropanedioate?
The canonical SMILES for lithium;potassium;2-propylpropanedioate is CCCC(C(=O)[O-])C(=O)[O-].[K+].[Li+].
What is the InChIKey of lithium;potassium;2-propylpropanedioate?
The InChIKey is KXYAVIRQOOGKJL-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H10O4.K.Li/c1-2-3-4(5(7)8)6(9)10;;/h4H,2-3H2,1H3,(H,7,8)(H,9,10);;/q;2*+1/p-2.
What are the key properties of lithium;potassium;2-propylpropanedioate?
lithium;potassium;2-propylpropanedioate has a molecular weight of 190.16 g/mol, XLogP of -8.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;potassium;2-propylpropanedioate is sourced from PubChem (CID 139411515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).