dipotassium;4-hydroxy-4-oxobutanoate;5-hydroxy-5-oxopentanoate

C9H12K2O8 — CID 158109252

IUPACdipotassium;4-hydroxy-4-oxobutanoate;5-hydroxy-5-oxopentanoate
SMILESO=C([O-])CCC(=O)O.O=C([O-])CCCC(=O)O.[K+].[K+]
InChIInChI=1S/C5H8O4.C4H6O4.2K/c6-4(7)2-1-3-5(8)9;5-3(6)1-2-4(7)8;;/h1-3H2,(H,6,7)(H,8,9);1-2H2,(H,5,6)(H,7,8);;/q;;2*+1/p-2
InChIKeySMJRTCUVWKYHPK-UHFFFAOYSA-L
MW326.38 g/mol
LogP-8.40
Rot. Bonds7

About dipotassium;4-hydroxy-4-oxobutanoate;5-hydroxy-5-oxopentanoate

dipotassium;4-hydroxy-4-oxobutanoate;5-hydroxy-5-oxopentanoate (PubChem CID 158109252) has the molecular formula C9H12K2O8 and a molecular weight of 326.38 g/mol. Its IUPAC name is dipotassium;4-hydroxy-4-oxobutanoate;5-hydroxy-5-oxopentanoate.

Molecular Properties

Compound Namedipotassium;4-hydroxy-4-oxobutanoate;5-hydroxy-5-oxopentanoate
PubChem CID158109252
Molecular FormulaC9H12K2O8
Molecular Weight326.38 g/mol
Exact Mass325.98
IUPAC Namedipotassium;4-hydroxy-4-oxobutanoate;5-hydroxy-5-oxopentanoate
SMILESO=C([O-])CCC(=O)O.O=C([O-])CCCC(=O)O.[K+].[K+]
InChIInChI=1S/C5H8O4.C4H6O4.2K/c6-4(7)2-1-3-5(8)9;5-3(6)1-2-4(7)8;;/h1-3H2,(H,6,7)(H,8,9);1-2H2,(H,5,6)(H,7,8);;/q;;2*+1/p-2
InChIKeySMJRTCUVWKYHPK-UHFFFAOYSA-L
XLogP-8.40
TPSA154.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 5-8.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

lithium;butanedioic acid;6-hydroxy-6-oxohexanoate
CID 175049997
dipotassium;butanedioate;butanedioic acid;hydrate
CID 174286675
hexanedioate;hexanedioic acid
CID 90469810
diazanium;hexanedioate;hexanedioic acid
CID 159515789
disodium;butanedioic acid;hexanedioate
CID 163708561
7-hydroxy-7-oxoheptanoate
CID 5459958
calcium bis(4-hydroxy-4-oxobutanoate)
CID 88814404
pentakis(4-hydroxy-4-oxobutanoate);niobium(5+)
CID 161140385
potassium;hexanoate;hexanoic acid
CID 175726310
bis(antimony(3+));tris(pentanedioate)
CID 19376891
cadmium(2+);pentanedioate
CID 19376914
disilver;octadecanoic acid;pentanedioate
CID 23440543

Frequently Asked Questions

What is the IUPAC name of dipotassium;4-hydroxy-4-oxobutanoate;5-hydroxy-5-oxopentanoate?
The IUPAC name of dipotassium;4-hydroxy-4-oxobutanoate;5-hydroxy-5-oxopentanoate (CID 158109252) is dipotassium;4-hydroxy-4-oxobutanoate;5-hydroxy-5-oxopentanoate.
What is the SMILES notation for dipotassium;4-hydroxy-4-oxobutanoate;5-hydroxy-5-oxopentanoate?
The canonical SMILES for dipotassium;4-hydroxy-4-oxobutanoate;5-hydroxy-5-oxopentanoate is O=C([O-])CCC(=O)O.O=C([O-])CCCC(=O)O.[K+].[K+].
What is the InChIKey of dipotassium;4-hydroxy-4-oxobutanoate;5-hydroxy-5-oxopentanoate?
The InChIKey is SMJRTCUVWKYHPK-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H8O4.C4H6O4.2K/c6-4(7)2-1-3-5(8)9;5-3(6)1-2-4(7)8;;/h1-3H2,(H,6,7)(H,8,9);1-2H2,(H,5,6)(H,7,8);;/q;;2*+1/p-2.
What are the key properties of dipotassium;4-hydroxy-4-oxobutanoate;5-hydroxy-5-oxopentanoate?
dipotassium;4-hydroxy-4-oxobutanoate;5-hydroxy-5-oxopentanoate has a molecular weight of 326.38 g/mol, XLogP of -8.40, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;4-hydroxy-4-oxobutanoate;5-hydroxy-5-oxopentanoate is sourced from PubChem (CID 158109252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).