potassium;sodium;2-butan-2-yl-2-methylpropanedioic acid;hydride

C8H16KNaO4 — CID 174967495

IUPACpotassium;sodium;2-butan-2-yl-2-methylpropanedioic acid;hydride
SMILESCCC(C)C(C)(C(=O)O)C(=O)O.[H-].[H-].[K+].[Na+]
InChIInChI=1S/C8H14O4.K.Na.2H/c1-4-5(2)8(3,6(9)10)7(11)12;;;;/h5H,4H2,1-3H3,(H,9,10)(H,11,12);;;;/q;2*+1;2*-1
InChIKeySFPBLMCKYSYBPX-UHFFFAOYSA-N
MW238.30 g/mol
LogP-4.56
Rot. Bonds4

About potassium;sodium;2-butan-2-yl-2-methylpropanedioic acid;hydride

potassium;sodium;2-butan-2-yl-2-methylpropanedioic acid;hydride (PubChem CID 174967495) has the molecular formula C8H16KNaO4 and a molecular weight of 238.30 g/mol. Its IUPAC name is potassium;sodium;2-butan-2-yl-2-methylpropanedioic acid;hydride.

Molecular Properties

Compound Namepotassium;sodium;2-butan-2-yl-2-methylpropanedioic acid;hydride
PubChem CID174967495
Molecular FormulaC8H16KNaO4
Molecular Weight238.30 g/mol
Exact Mass238.06
IUPAC Namepotassium;sodium;2-butan-2-yl-2-methylpropanedioic acid;hydride
SMILESCCC(C)C(C)(C(=O)O)C(=O)O.[H-].[H-].[K+].[Na+]
InChIInChI=1S/C8H14O4.K.Na.2H/c1-4-5(2)8(3,6(9)10)7(11)12;;;;/h5H,4H2,1-3H3,(H,9,10)(H,11,12);;;;/q;2*+1;2*-1
InChIKeySFPBLMCKYSYBPX-UHFFFAOYSA-N
XLogP-4.56
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 5-4.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

magnesium;hydride;2,2,3-trimethylpentanoic acid
CID 175225022
magnesium;2-hexan-2-yl-2-methylpropanedioic acid;hydride
CID 174967737
magnesium 2-butan-2-yl-2-methylpropanedioate
CID 153424031
sodium;2-heptan-3-yl-2-methylpropanedioic acid;hydride
CID 175370933
(2S,3R)-2-amino-2-hydroxy-3-methylpentanoic acid
CID 91314303
(2S)-2-amino-2-hydroxy-3-methylpentanoic acid
CID 143658078
potassium;sodium;2-ethylpropanedioic acid;hydride
CID 174967911
2-ethyl-3-methyl-2-propan-2-ylpentanoic acid
CID 139619790
tris(prop-2-enoic acid);2,2,3-trimethylpentane
CID 175962971
2-(2-hydroxyethoxy)-2,3-dimethylpentanoic acid
CID 103377553
2,3-dimethyl-2-(methylcarbamoyl)hexanoic acid
CID 107889835
2-amino-3-methyl-2-(2-methylpropyl)pentanoic acid
CID 19431547

Frequently Asked Questions

What is the IUPAC name of potassium;sodium;2-butan-2-yl-2-methylpropanedioic acid;hydride?
The IUPAC name of potassium;sodium;2-butan-2-yl-2-methylpropanedioic acid;hydride (CID 174967495) is potassium;sodium;2-butan-2-yl-2-methylpropanedioic acid;hydride.
What is the SMILES notation for potassium;sodium;2-butan-2-yl-2-methylpropanedioic acid;hydride?
The canonical SMILES for potassium;sodium;2-butan-2-yl-2-methylpropanedioic acid;hydride is CCC(C)C(C)(C(=O)O)C(=O)O.[H-].[H-].[K+].[Na+].
What is the InChIKey of potassium;sodium;2-butan-2-yl-2-methylpropanedioic acid;hydride?
The InChIKey is SFPBLMCKYSYBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4.K.Na.2H/c1-4-5(2)8(3,6(9)10)7(11)12;;;;/h5H,4H2,1-3H3,(H,9,10)(H,11,12);;;;/q;2*+1;2*-1.
What are the key properties of potassium;sodium;2-butan-2-yl-2-methylpropanedioic acid;hydride?
potassium;sodium;2-butan-2-yl-2-methylpropanedioic acid;hydride has a molecular weight of 238.30 g/mol, XLogP of -4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;sodium;2-butan-2-yl-2-methylpropanedioic acid;hydride is sourced from PubChem (CID 174967495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).