potassium;acetic acid;carbonocyanidic acid;ethanol;hydride

C8H16KNO7 — CID 175025559

IUPACpotassium;acetic acid;carbonocyanidic acid;ethanol;hydride
SMILESCC(=O)O.CC(=O)O.CCO.N#CC(=O)O.[H-].[K+]
InChIInChI=1S/C2HNO2.2C2H4O2.C2H6O.K.H/c3-1-2(4)5;2*1-2(3)4;1-2-3;;/h(H,4,5);2*1H3,(H,3,4);3H,2H2,1H3;;/q;;;;+1;-1
InChIKeyDIRDAXJFEXBFQS-UHFFFAOYSA-N
MW277.31 g/mol
LogP-3.11
Rot. Bonds

About potassium;acetic acid;carbonocyanidic acid;ethanol;hydride

potassium;acetic acid;carbonocyanidic acid;ethanol;hydride (PubChem CID 175025559) has the molecular formula C8H16KNO7 and a molecular weight of 277.31 g/mol. Its IUPAC name is potassium;acetic acid;carbonocyanidic acid;ethanol;hydride.

Molecular Properties

Compound Namepotassium;acetic acid;carbonocyanidic acid;ethanol;hydride
PubChem CID175025559
Molecular FormulaC8H16KNO7
Molecular Weight277.31 g/mol
Exact Mass277.06
IUPAC Namepotassium;acetic acid;carbonocyanidic acid;ethanol;hydride
SMILESCC(=O)O.CC(=O)O.CCO.N#CC(=O)O.[H-].[K+]
InChIInChI=1S/C2HNO2.2C2H4O2.C2H6O.K.H/c3-1-2(4)5;2*1-2(3)4;1-2-3;;/h(H,4,5);2*1H3,(H,3,4);3H,2H2,1H3;;/q;;;;+1;-1
InChIKeyDIRDAXJFEXBFQS-UHFFFAOYSA-N
XLogP-3.11
TPSA155.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 5-3.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;carbonocyanidic acid;hydrate
CID 173278847
acetic acid;carbonocyanidic acid
CID 87059640
tripotassium;carbonocyanidic acid;hydride
CID 173291553
acetic acid;bis(butanedioic acid);carbonocyanidic acid;hydrate
CID 174282243
potassium;acetic acid;cyanic acid;hydride
CID 174536403
carbonocyanidic acid;iron
CID 87844648
acetic acid;copper;dihydrate
CID 172826856
potassium;acetic acid;hydride
CID 173209804
acetic acid;copper;tetrahydrate
CID 174987163
acetic acid;pentakis(acetonitrile)
CID 173433569
acetic acid;carbonocyanidic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 173366193
potassium;acetic acid;hydride;zinc
CID 174107253

Frequently Asked Questions

What is the IUPAC name of potassium;acetic acid;carbonocyanidic acid;ethanol;hydride?
The IUPAC name of potassium;acetic acid;carbonocyanidic acid;ethanol;hydride (CID 175025559) is potassium;acetic acid;carbonocyanidic acid;ethanol;hydride.
What is the SMILES notation for potassium;acetic acid;carbonocyanidic acid;ethanol;hydride?
The canonical SMILES for potassium;acetic acid;carbonocyanidic acid;ethanol;hydride is CC(=O)O.CC(=O)O.CCO.N#CC(=O)O.[H-].[K+].
What is the InChIKey of potassium;acetic acid;carbonocyanidic acid;ethanol;hydride?
The InChIKey is DIRDAXJFEXBFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HNO2.2C2H4O2.C2H6O.K.H/c3-1-2(4)5;2*1-2(3)4;1-2-3;;/h(H,4,5);2*1H3,(H,3,4);3H,2H2,1H3;;/q;;;;+1;-1.
What are the key properties of potassium;acetic acid;carbonocyanidic acid;ethanol;hydride?
potassium;acetic acid;carbonocyanidic acid;ethanol;hydride has a molecular weight of 277.31 g/mol, XLogP of -3.11, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;acetic acid;carbonocyanidic acid;ethanol;hydride is sourced from PubChem (CID 175025559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).