dipotassium;2,3-diethylbutanedioate

C8H12K2O4 — CID 88780134

IUPACdipotassium;2,3-diethylbutanedioate
SMILESCCC(C(=O)[O-])C(CC)C(=O)[O-].[K+].[K+]
InChIInChI=1S/C8H14O4.2K/c1-3-5(7(9)10)6(4-2)8(11)12;;/h5-6H,3-4H2,1-2H3,(H,9,10)(H,11,12);;/q;2*+1/p-2
InChIKeyXXNPCYYLFHULRE-UHFFFAOYSA-L
MW250.38 g/mol
LogP-7.45
Rot. Bonds5

About dipotassium;2,3-diethylbutanedioate

dipotassium;2,3-diethylbutanedioate (PubChem CID 88780134) has the molecular formula C8H12K2O4 and a molecular weight of 250.38 g/mol. Its IUPAC name is dipotassium;2,3-diethylbutanedioate.

Molecular Properties

Compound Namedipotassium;2,3-diethylbutanedioate
PubChem CID88780134
Molecular FormulaC8H12K2O4
Molecular Weight250.38 g/mol
Exact Mass250.00
IUPAC Namedipotassium;2,3-diethylbutanedioate
SMILESCCC(C(=O)[O-])C(CC)C(=O)[O-].[K+].[K+]
InChIInChI=1S/C8H14O4.2K/c1-3-5(7(9)10)6(4-2)8(11)12;;/h5-6H,3-4H2,1-2H3,(H,9,10)(H,11,12);;/q;2*+1/p-2
InChIKeyXXNPCYYLFHULRE-UHFFFAOYSA-L
XLogP-7.45
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 5-7.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

potassium 2-fluorobutanoate
CID 168947698
magnesium 2-ethylpropanedioate
CID 22261989
2-methylbutanoate
CID 91073357
tris(2-ethylbutanoate);niobium(3+)
CID 173096666
lithium 2-ethylbutanoate
CID 23681528
dialuminum;tris(2-ethylpropanedioate)
CID 157429593
dipotassium;2-ethylbutanedioate
CID 172823194
magnesium bis(2-methylbutanoate)
CID 88739715
cobalt(2+);bis((2R)-2-methylbutanoate)
CID 90199434
bis(2-methylbutanoate);niobium(2+)
CID 18939928
2-chlorobutanoate
CID 22062893
2,3-dioctadecylbutanedioate
CID 21183582

Frequently Asked Questions

What is the IUPAC name of dipotassium;2,3-diethylbutanedioate?
The IUPAC name of dipotassium;2,3-diethylbutanedioate (CID 88780134) is dipotassium;2,3-diethylbutanedioate.
What is the SMILES notation for dipotassium;2,3-diethylbutanedioate?
The canonical SMILES for dipotassium;2,3-diethylbutanedioate is CCC(C(=O)[O-])C(CC)C(=O)[O-].[K+].[K+].
What is the InChIKey of dipotassium;2,3-diethylbutanedioate?
The InChIKey is XXNPCYYLFHULRE-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H14O4.2K/c1-3-5(7(9)10)6(4-2)8(11)12;;/h5-6H,3-4H2,1-2H3,(H,9,10)(H,11,12);;/q;2*+1/p-2.
What are the key properties of dipotassium;2,3-diethylbutanedioate?
dipotassium;2,3-diethylbutanedioate has a molecular weight of 250.38 g/mol, XLogP of -7.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;2,3-diethylbutanedioate is sourced from PubChem (CID 88780134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).