potassium 1,1-dihydroxyethanolate

C2H5KO3 — CID 142786674

IUPACpotassium 1,1-dihydroxyethanolate
SMILESCC([O-])(O)O.[K+]
InChIInChI=1S/C2H5O3.K/c1-2(3,4)5;/h3-4H,1H3;/q-1;+1
InChIKeyKBUVISPAULBSLQ-UHFFFAOYSA-N
MW116.16 g/mol
LogP-4.99
Rot. Bonds

About potassium 1,1-dihydroxyethanolate

potassium 1,1-dihydroxyethanolate (PubChem CID 142786674) has the molecular formula C2H5KO3 and a molecular weight of 116.16 g/mol. Its IUPAC name is potassium 1,1-dihydroxyethanolate.

Molecular Properties

Compound Namepotassium 1,1-dihydroxyethanolate
PubChem CID142786674
Molecular FormulaC2H5KO3
Molecular Weight116.16 g/mol
Exact Mass115.99
IUPAC Namepotassium 1,1-dihydroxyethanolate
SMILESCC([O-])(O)O.[K+]
InChIInChI=1S/C2H5O3.K/c1-2(3,4)5;/h3-4H,1H3;/q-1;+1
InChIKeyKBUVISPAULBSLQ-UHFFFAOYSA-N
XLogP-4.99
TPSA63.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-4.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

potassium;carbanide;2-methylpropan-2-ol
CID 87884731
potassium;gold;2-methylpropan-2-olate
CID 174888257
(2S)-2-hydroxy-3-methylbutan-2-olate
CID 59952741
tetrakis(2-methylpropan-2-ol);titanium
CID 174053389
2-methylpropan-2-ol;molybdenum
CID 174435313
lithium 2-methylpropan-2-ol
CID 21120036
cerium;hexakis(2-methylpropan-2-olate)
CID 160781573
methane;2-methylpropan-2-ol
CID 157161859
sodium tert-butanolate
CID 131726539
ethane-1,1,1-triol;hydrochloride
CID 21272946
triazanium;tris(2-methylpropan-2-olate)
CID 139799993
2-methylpropan-2-ol;titanium(4+)
CID 159912750

Frequently Asked Questions

What is the IUPAC name of potassium 1,1-dihydroxyethanolate?
The IUPAC name of potassium 1,1-dihydroxyethanolate (CID 142786674) is potassium 1,1-dihydroxyethanolate.
What is the SMILES notation for potassium 1,1-dihydroxyethanolate?
The canonical SMILES for potassium 1,1-dihydroxyethanolate is CC([O-])(O)O.[K+].
What is the InChIKey of potassium 1,1-dihydroxyethanolate?
The InChIKey is KBUVISPAULBSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5O3.K/c1-2(3,4)5;/h3-4H,1H3;/q-1;+1.
What are the key properties of potassium 1,1-dihydroxyethanolate?
potassium 1,1-dihydroxyethanolate has a molecular weight of 116.16 g/mol, XLogP of -4.99, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1,1-dihydroxyethanolate is sourced from PubChem (CID 142786674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).