dipotassium;butanedioate;butanedioic acid;hydrate

C8H12K2O9 — CID 174286675

IUPACdipotassium;butanedioate;butanedioic acid;hydrate
SMILESO.O=C(O)CCC(=O)O.O=C([O-])CCC(=O)[O-].[K+].[K+]
InChIInChI=1S/2C4H6O4.2K.H2O/c2*5-3(6)1-2-4(7)8;;;/h2*1-2H2,(H,5,6)(H,7,8);;;1H2/q;;2*+1;/p-2
InChIKeyLTTBMEYBCOXNNE-UHFFFAOYSA-L
MW330.37 g/mol
LogP-9.61
Rot. Bonds6

About dipotassium;butanedioate;butanedioic acid;hydrate

dipotassium;butanedioate;butanedioic acid;hydrate (PubChem CID 174286675) has the molecular formula C8H12K2O9 and a molecular weight of 330.37 g/mol. Its IUPAC name is dipotassium;butanedioate;butanedioic acid;hydrate.

Molecular Properties

Compound Namedipotassium;butanedioate;butanedioic acid;hydrate
PubChem CID174286675
Molecular FormulaC8H12K2O9
Molecular Weight330.37 g/mol
Exact Mass329.98
IUPAC Namedipotassium;butanedioate;butanedioic acid;hydrate
SMILESO.O=C(O)CCC(=O)O.O=C([O-])CCC(=O)[O-].[K+].[K+]
InChIInChI=1S/2C4H6O4.2K.H2O/c2*5-3(6)1-2-4(7)8;;;/h2*1-2H2,(H,5,6)(H,7,8);;;1H2/q;;2*+1;/p-2
InChIKeyLTTBMEYBCOXNNE-UHFFFAOYSA-L
XLogP-9.61
TPSA186.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 5-9.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

calcium bis(4-hydroxy-4-oxobutanoate)
CID 88814404
pentakis(4-hydroxy-4-oxobutanoate);niobium(5+)
CID 161140385
dipotassium;4-hydroxy-4-oxobutanoate;5-hydroxy-5-oxopentanoate
CID 158109252
sodium;4-hydroxy-4-oxobutanoate;trichloroalumane
CID 175195215
disodium;butanedioic acid;hexanedioate
CID 163708561
sodium;4-oxopentanoate;4-oxopentanoic acid
CID 159759335
lithium;butanedioic acid;6-hydroxy-6-oxohexanoate
CID 175049997
butanedioate;butanedioic acid;2-(dimethylazaniumyl)ethyl-dimethylazanium
CID 139059168
bis(butanedioate);osmium(4+)
CID 159559487
azane;butanedioic acid;dihydrate
CID 141112137
butanedioic acid;zinc;dihydrate
CID 175420905
butanedioic acid;zinc;dihydrate
CID 175091968

Frequently Asked Questions

What is the IUPAC name of dipotassium;butanedioate;butanedioic acid;hydrate?
The IUPAC name of dipotassium;butanedioate;butanedioic acid;hydrate (CID 174286675) is dipotassium;butanedioate;butanedioic acid;hydrate.
What is the SMILES notation for dipotassium;butanedioate;butanedioic acid;hydrate?
The canonical SMILES for dipotassium;butanedioate;butanedioic acid;hydrate is O.O=C(O)CCC(=O)O.O=C([O-])CCC(=O)[O-].[K+].[K+].
What is the InChIKey of dipotassium;butanedioate;butanedioic acid;hydrate?
The InChIKey is LTTBMEYBCOXNNE-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4H6O4.2K.H2O/c2*5-3(6)1-2-4(7)8;;;/h2*1-2H2,(H,5,6)(H,7,8);;;1H2/q;;2*+1;/p-2.
What are the key properties of dipotassium;butanedioate;butanedioic acid;hydrate?
dipotassium;butanedioate;butanedioic acid;hydrate has a molecular weight of 330.37 g/mol, XLogP of -9.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;butanedioate;butanedioic acid;hydrate is sourced from PubChem (CID 174286675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).