potassium 2,2-diethoxyacetate

C6H11KO4 — CID 87278402

IUPACpotassium 2,2-diethoxyacetate
SMILESCCOC(OCC)C(=O)[O-].[K+]
InChIInChI=1S/C6H12O4.K/c1-3-9-6(5(7)8)10-4-2;/h6H,3-4H2,1-2H3,(H,7,8);/q;+1/p-1
InChIKeyPNRIGHQYXRDOTB-UHFFFAOYSA-M
MW186.25 g/mol
LogP-3.86
Rot. Bonds5

About potassium 2,2-diethoxyacetate

potassium 2,2-diethoxyacetate (PubChem CID 87278402) has the molecular formula C6H11KO4 and a molecular weight of 186.25 g/mol. Its IUPAC name is potassium 2,2-diethoxyacetate.

Molecular Properties

Compound Namepotassium 2,2-diethoxyacetate
PubChem CID87278402
Molecular FormulaC6H11KO4
Molecular Weight186.25 g/mol
Exact Mass186.03
IUPAC Namepotassium 2,2-diethoxyacetate
SMILESCCOC(OCC)C(=O)[O-].[K+]
InChIInChI=1S/C6H12O4.K/c1-3-9-6(5(7)8)10-4-2;/h6H,3-4H2,1-2H3,(H,7,8);/q;+1/p-1
InChIKeyPNRIGHQYXRDOTB-UHFFFAOYSA-M
XLogP-3.86
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-3.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-diethoxyacetate
CID 22600241
magnesium 2-[carboxylato(ethoxy)methoxy]-3-hydroxypropanoate
CID 158356725
sodium 2-ethoxypropanoate
CID 141029681
2-ethoxybutanoate
CID 21321797
2-ethoxy-3-methylbutanoate
CID 23183641
2-ethoxybut-3-enoate
CID 22378460
1,1-diethoxy-3-methylbut-3-en-2-one
CID 79495451
potassium 3-ethoxy-2-methyl-3-oxopropanoate
CID 23679020
cerium(3+);tris(2-ethoxyhexanoate)
CID 22559432
3-chloro-1,1-diethoxypropan-2-one
CID 10921139
dipotassium;2,3-diethylbutanedioate
CID 88780134
lithium;2,2-diethoxyacetic acid;2-methylpropane
CID 158199649

Frequently Asked Questions

What is the IUPAC name of potassium 2,2-diethoxyacetate?
The IUPAC name of potassium 2,2-diethoxyacetate (CID 87278402) is potassium 2,2-diethoxyacetate.
What is the SMILES notation for potassium 2,2-diethoxyacetate?
The canonical SMILES for potassium 2,2-diethoxyacetate is CCOC(OCC)C(=O)[O-].[K+].
What is the InChIKey of potassium 2,2-diethoxyacetate?
The InChIKey is PNRIGHQYXRDOTB-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H12O4.K/c1-3-9-6(5(7)8)10-4-2;/h6H,3-4H2,1-2H3,(H,7,8);/q;+1/p-1.
What are the key properties of potassium 2,2-diethoxyacetate?
potassium 2,2-diethoxyacetate has a molecular weight of 186.25 g/mol, XLogP of -3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2,2-diethoxyacetate is sourced from PubChem (CID 87278402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).