dipotassium;2-methylbutanedioate

C5H6K2O4 — CID 87067134

IUPACdipotassium;2-methylbutanedioate
SMILESCC(CC(=O)[O-])C(=O)[O-].[K+].[K+]
InChIInChI=1S/C5H8O4.2K/c1-3(5(8)9)2-4(6)7;;/h3H,2H2,1H3,(H,6,7)(H,8,9);;/q;2*+1/p-2
InChIKeyNTOJXABRPBNKOY-UHFFFAOYSA-L
MW208.29 g/mol
LogP-8.48
Rot. Bonds3

About dipotassium;2-methylbutanedioate

dipotassium;2-methylbutanedioate (PubChem CID 87067134) has the molecular formula C5H6K2O4 and a molecular weight of 208.29 g/mol. Its IUPAC name is dipotassium;2-methylbutanedioate.

Molecular Properties

Compound Namedipotassium;2-methylbutanedioate
PubChem CID87067134
Molecular FormulaC5H6K2O4
Molecular Weight208.29 g/mol
Exact Mass207.95
IUPAC Namedipotassium;2-methylbutanedioate
SMILESCC(CC(=O)[O-])C(=O)[O-].[K+].[K+]
InChIInChI=1S/C5H8O4.2K/c1-3(5(8)9)2-4(6)7;;/h3H,2H2,1H3,(H,6,7)(H,8,9);;/q;2*+1/p-2
InChIKeyNTOJXABRPBNKOY-UHFFFAOYSA-L
XLogP-8.48
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 5-8.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

potassium (3R)-3-hydroxybutanoate
CID 23704427
(2S)-2-methyl-4-oxopentanoate
CID 51382637
2-methylbutanedioate;bis(triphenylsulfanium)
CID 87067143
disodium bis(3-hydroxybutanoate)
CID 140970617
butan-2-one;2-methyl-4-oxopentanoate;3-methyl-4-oxopentanoate;3-oxobutanoate
CID 162054090
2-methylbutanoate
CID 91073357
calcium bis(3-methylbutanoate)
CID 6453767
tetrakis(3-methylbutanoate);zirconium(4+)
CID 158092417
dipotassium;2-methylhexanedioate
CID 88781923
magnesium bis(2-methylbutanoate)
CID 88739715
bis(2-methylbutanoate);niobium(2+)
CID 18939928
cobalt(2+);bis((2R)-2-methylbutanoate)
CID 90199434

Frequently Asked Questions

What is the IUPAC name of dipotassium;2-methylbutanedioate?
The IUPAC name of dipotassium;2-methylbutanedioate (CID 87067134) is dipotassium;2-methylbutanedioate.
What is the SMILES notation for dipotassium;2-methylbutanedioate?
The canonical SMILES for dipotassium;2-methylbutanedioate is CC(CC(=O)[O-])C(=O)[O-].[K+].[K+].
What is the InChIKey of dipotassium;2-methylbutanedioate?
The InChIKey is NTOJXABRPBNKOY-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H8O4.2K/c1-3(5(8)9)2-4(6)7;;/h3H,2H2,1H3,(H,6,7)(H,8,9);;/q;2*+1/p-2.
What are the key properties of dipotassium;2-methylbutanedioate?
dipotassium;2-methylbutanedioate has a molecular weight of 208.29 g/mol, XLogP of -8.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;2-methylbutanedioate is sourced from PubChem (CID 87067134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).