potassium 2-(1-ethoxyethoxy)propanoate

C7H13KO4 — CID 23720076

IUPACpotassium 2-(1-ethoxyethoxy)propanoate
SMILESCCOC(C)OC(C)C(=O)[O-].[K+]
InChIInChI=1S/C7H14O4.K/c1-4-10-6(3)11-5(2)7(8)9;/h5-6H,4H2,1-3H3,(H,8,9);/q;+1/p-1
InChIKeyKUWQDXACCYCNOY-UHFFFAOYSA-M
MW200.27 g/mol
LogP-3.47
Rot. Bonds5

About potassium 2-(1-ethoxyethoxy)propanoate

potassium 2-(1-ethoxyethoxy)propanoate (PubChem CID 23720076) has the molecular formula C7H13KO4 and a molecular weight of 200.27 g/mol. Its IUPAC name is potassium 2-(1-ethoxyethoxy)propanoate.

Molecular Properties

Compound Namepotassium 2-(1-ethoxyethoxy)propanoate
PubChem CID23720076
Molecular FormulaC7H13KO4
Molecular Weight200.27 g/mol
Exact Mass200.05
IUPAC Namepotassium 2-(1-ethoxyethoxy)propanoate
SMILESCCOC(C)OC(C)C(=O)[O-].[K+]
InChIInChI=1S/C7H14O4.K/c1-4-10-6(3)11-5(2)7(8)9;/h5-6H,4H2,1-3H3,(H,8,9);/q;+1/p-1
InChIKeyKUWQDXACCYCNOY-UHFFFAOYSA-M
XLogP-3.47
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 5-3.47
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

Ethyl 2-((ethoxycarbonyl)oxy)propanoate
CID 97953
Potassium 2-(2-ethoxyethoxy)propanoate
CID 23670519
Ethyl 2-(1-ethoxyethoxy)propanoate
CID 552079
2,5-Dimethyl-1,3-dioxolan-4-one
CID 107214
2-(1-Ethoxyethoxy)propanoic acid
CID 21286131
Methyl 2-[(methoxycarbonyl)oxy]propanoate
CID 223941
rel-(2R,5R)-2,5-Dimethyl-1,3-dioxolan-4-one
CID 15140209
5-Methyl-2-propyl-1,3-dioxolan-4-one
CID 296386
2-Methoxycarbonyloxy-propionic acid butyl ester
CID 251815
Ethyl[1-(butoxy-carbonyl)ethyl]-carbonate
CID 347493
Propanoic acid, 2-[(2-methoxyethoxy)methoxy]-, ethyl ester, (S)-
CID 11095762
Ethyl 2,3,3-triethoxypropanoate
CID 85871046

Frequently Asked Questions

What is the IUPAC name of potassium 2-(1-ethoxyethoxy)propanoate?
The IUPAC name of potassium 2-(1-ethoxyethoxy)propanoate (CID 23720076) is potassium 2-(1-ethoxyethoxy)propanoate.
What is the SMILES notation for potassium 2-(1-ethoxyethoxy)propanoate?
The canonical SMILES for potassium 2-(1-ethoxyethoxy)propanoate is CCOC(C)OC(C)C(=O)[O-].[K+].
What is the InChIKey of potassium 2-(1-ethoxyethoxy)propanoate?
The InChIKey is KUWQDXACCYCNOY-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H14O4.K/c1-4-10-6(3)11-5(2)7(8)9;/h5-6H,4H2,1-3H3,(H,8,9);/q;+1/p-1.
What are the key properties of potassium 2-(1-ethoxyethoxy)propanoate?
potassium 2-(1-ethoxyethoxy)propanoate has a molecular weight of 200.27 g/mol, XLogP of -3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(1-ethoxyethoxy)propanoate is sourced from PubChem (CID 23720076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).