dipotassium;2-methylpropanedioate

C4H4K2O4 — CID 87066980

IUPACdipotassium;2-methylpropanedioate
SMILESCC(C(=O)[O-])C(=O)[O-].[K+].[K+]
InChIInChI=1S/C4H6O4.2K/c1-2(3(5)6)4(7)8;;/h2H,1H3,(H,5,6)(H,7,8);;/q;2*+1/p-2
InChIKeyAHWKYZMDNULJRF-UHFFFAOYSA-L
MW194.27 g/mol
LogP-8.87
Rot. Bonds2

About dipotassium;2-methylpropanedioate

dipotassium;2-methylpropanedioate (PubChem CID 87066980) has the molecular formula C4H4K2O4 and a molecular weight of 194.27 g/mol. Its IUPAC name is dipotassium;2-methylpropanedioate.

Molecular Properties

Compound Namedipotassium;2-methylpropanedioate
PubChem CID87066980
Molecular FormulaC4H4K2O4
Molecular Weight194.27 g/mol
Exact Mass193.94
IUPAC Namedipotassium;2-methylpropanedioate
SMILESCC(C(=O)[O-])C(=O)[O-].[K+].[K+]
InChIInChI=1S/C4H6O4.2K/c1-2(3(5)6)4(7)8;;/h2H,1H3,(H,5,6)(H,7,8);;/q;2*+1/p-2
InChIKeyAHWKYZMDNULJRF-UHFFFAOYSA-L
XLogP-8.87
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 5-8.87
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 dipotassium;2-methylpropanedioate?
The IUPAC name of dipotassium;2-methylpropanedioate (CID 87066980) is dipotassium;2-methylpropanedioate.
What is the SMILES notation for dipotassium;2-methylpropanedioate?
The canonical SMILES for dipotassium;2-methylpropanedioate is CC(C(=O)[O-])C(=O)[O-].[K+].[K+].
What is the InChIKey of dipotassium;2-methylpropanedioate?
The InChIKey is AHWKYZMDNULJRF-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H6O4.2K/c1-2(3(5)6)4(7)8;;/h2H,1H3,(H,5,6)(H,7,8);;/q;2*+1/p-2.
What are the key properties of dipotassium;2-methylpropanedioate?
dipotassium;2-methylpropanedioate has a molecular weight of 194.27 g/mol, XLogP of -8.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;2-methylpropanedioate is sourced from PubChem (CID 87066980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).