dipotassium;2-ethylbutanedioate

C6H8K2O4 — CID 172823194

IUPACdipotassium;2-ethylbutanedioate
SMILESCCC(CC(=O)[O-])C(=O)[O-].[K+].[K+]
InChIInChI=1S/C6H10O4.2K/c1-2-4(6(9)10)3-5(7)8;;/h4H,2-3H2,1H3,(H,7,8)(H,9,10);;/q;2*+1/p-2
InChIKeyUMQDUCIUGDNGLX-UHFFFAOYSA-L
MW222.32 g/mol
LogP-8.09
Rot. Bonds4

About dipotassium;2-ethylbutanedioate

dipotassium;2-ethylbutanedioate (PubChem CID 172823194) has the molecular formula C6H8K2O4 and a molecular weight of 222.32 g/mol. Its IUPAC name is dipotassium;2-ethylbutanedioate.

Molecular Properties

Compound Namedipotassium;2-ethylbutanedioate
PubChem CID172823194
Molecular FormulaC6H8K2O4
Molecular Weight222.32 g/mol
Exact Mass221.97
IUPAC Namedipotassium;2-ethylbutanedioate
SMILESCCC(CC(=O)[O-])C(=O)[O-].[K+].[K+]
InChIInChI=1S/C6H10O4.2K/c1-2-4(6(9)10)3-5(7)8;;/h4H,2-3H2,1H3,(H,7,8)(H,9,10);;/q;2*+1/p-2
InChIKeyUMQDUCIUGDNGLX-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 ≤ 500222.32
LogP ≤ 5-8.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

lithium 2-ethylbutanoate
CID 23681528
tris(2-ethylbutanoate);niobium(3+)
CID 173096666
gallium propane-1,2,3-tricarboxylate
CID 175397549
sodium 3-ethyl-4-oxopentanoate
CID 158418112
2-ethyl-4-methoxy-4-oxobutanoate
CID 19842564
sodium 2-(hydroxymethyl)butanoate
CID 23711714
dipotassium;cobalt(2+);bis(2-ethylhexanoate);diacetate
CID 20539845
(2S)-butane-1,2,4-tricarboxylate
CID 7000096
(2R)-butane-1,2,4-tricarboxylate
CID 6992751
dipotassium;2-methylbutanedioate
CID 87067134
dilithium;2-oxo-3-propylpentanedioate
CID 23628472
2-ethylhexanoate;bis(nickel(2+));acetate
CID 19733896

Frequently Asked Questions

What is the IUPAC name of dipotassium;2-ethylbutanedioate?
The IUPAC name of dipotassium;2-ethylbutanedioate (CID 172823194) is dipotassium;2-ethylbutanedioate.
What is the SMILES notation for dipotassium;2-ethylbutanedioate?
The canonical SMILES for dipotassium;2-ethylbutanedioate is CCC(CC(=O)[O-])C(=O)[O-].[K+].[K+].
What is the InChIKey of dipotassium;2-ethylbutanedioate?
The InChIKey is UMQDUCIUGDNGLX-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H10O4.2K/c1-2-4(6(9)10)3-5(7)8;;/h4H,2-3H2,1H3,(H,7,8)(H,9,10);;/q;2*+1/p-2.
What are the key properties of dipotassium;2-ethylbutanedioate?
dipotassium;2-ethylbutanedioate has a molecular weight of 222.32 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 dipotassium;2-ethylbutanedioate is sourced from PubChem (CID 172823194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).