potassium;butane-1,4-diol;ethanol;hydride

C8H23KO4 — CID 173460715

IUPACpotassium;butane-1,4-diol;ethanol;hydride
SMILESCCO.CCO.OCCCCO.[H-].[K+]
InChIInChI=1S/C4H10O2.2C2H6O.K.H/c5-3-1-2-4-6;2*1-2-3;;/h5-6H,1-4H2;2*3H,2H2,1H3;;/q;;;+1;-1
InChIKeySJTNRYBKBAKUTJ-UHFFFAOYSA-N
MW222.37 g/mol
LogP-3.14
Rot. Bonds3

About potassium;butane-1,4-diol;ethanol;hydride

potassium;butane-1,4-diol;ethanol;hydride (PubChem CID 173460715) has the molecular formula C8H23KO4 and a molecular weight of 222.37 g/mol. Its IUPAC name is potassium;butane-1,4-diol;ethanol;hydride.

Molecular Properties

Compound Namepotassium;butane-1,4-diol;ethanol;hydride
PubChem CID173460715
Molecular FormulaC8H23KO4
Molecular Weight222.37 g/mol
Exact Mass222.12
IUPAC Namepotassium;butane-1,4-diol;ethanol;hydride
SMILESCCO.CCO.OCCCCO.[H-].[K+]
InChIInChI=1S/C4H10O2.2C2H6O.K.H/c5-3-1-2-4-6;2*1-2-3;;/h5-6H,1-4H2;2*3H,2H2,1H3;;/q;;;+1;-1
InChIKeySJTNRYBKBAKUTJ-UHFFFAOYSA-N
XLogP-3.14
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 5-3.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butane;butane-1,4-diol
CID 160786697
ethanol;heptadecan-1-ol
CID 160681961
potassium;hydride;propane-1,3-diol
CID 173407766
magnesium;hexan-1-ol;hydride
CID 173424327
calcium;dodecan-1-ol;hydride
CID 173099575
calcium;hydride;undecan-1-ol
CID 174734394
sodium;dodecan-1-ol;hydride
CID 173039865
magnesium;heptan-1-ol;hydride
CID 174154950
CID 174954597
CID 174954597
ethanol;11-sulfanylundecan-1-ol
CID 175180301
heptatriacontan-1-ol
CID 537071
gold;pentan-1-ol
CID 152701196

Frequently Asked Questions

What is the IUPAC name of potassium;butane-1,4-diol;ethanol;hydride?
The IUPAC name of potassium;butane-1,4-diol;ethanol;hydride (CID 173460715) is potassium;butane-1,4-diol;ethanol;hydride.
What is the SMILES notation for potassium;butane-1,4-diol;ethanol;hydride?
The canonical SMILES for potassium;butane-1,4-diol;ethanol;hydride is CCO.CCO.OCCCCO.[H-].[K+].
What is the InChIKey of potassium;butane-1,4-diol;ethanol;hydride?
The InChIKey is SJTNRYBKBAKUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2.2C2H6O.K.H/c5-3-1-2-4-6;2*1-2-3;;/h5-6H,1-4H2;2*3H,2H2,1H3;;/q;;;+1;-1.
What are the key properties of potassium;butane-1,4-diol;ethanol;hydride?
potassium;butane-1,4-diol;ethanol;hydride has a molecular weight of 222.37 g/mol, XLogP of -3.14, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;butane-1,4-diol;ethanol;hydride is sourced from PubChem (CID 173460715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).