potassium 2-(2-ethoxyethoxy)propanoate

C7H13KO4 — CID 23670519

IUPACpotassium 2-(2-ethoxyethoxy)propanoate
SMILESCCOCCOC(C)C(=O)[O-].[K+]
InChIInChI=1S/C7H14O4.K/c1-3-10-4-5-11-6(2)7(8)9;/h6H,3-5H2,1-2H3,(H,8,9);/q;+1/p-1
InChIKeyBCRJMPAOSQNFJU-UHFFFAOYSA-M
MW200.27 g/mol
LogP-3.82
Rot. Bonds6

About potassium 2-(2-ethoxyethoxy)propanoate

potassium 2-(2-ethoxyethoxy)propanoate (PubChem CID 23670519) has the molecular formula C7H13KO4 and a molecular weight of 200.27 g/mol. Its IUPAC name is potassium 2-(2-ethoxyethoxy)propanoate.

Molecular Properties

Compound Namepotassium 2-(2-ethoxyethoxy)propanoate
PubChem CID23670519
Molecular FormulaC7H13KO4
Molecular Weight200.27 g/mol
Exact Mass200.05
IUPAC Namepotassium 2-(2-ethoxyethoxy)propanoate
SMILESCCOCCOC(C)C(=O)[O-].[K+]
InChIInChI=1S/C7H14O4.K/c1-3-10-4-5-11-6(2)7(8)9;/h6H,3-5H2,1-2H3,(H,8,9);/q;+1/p-1
InChIKeyBCRJMPAOSQNFJU-UHFFFAOYSA-M
XLogP-3.82
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 5-3.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium 2-(2-ethoxyethoxy)propanoate?
The IUPAC name of potassium 2-(2-ethoxyethoxy)propanoate (CID 23670519) is potassium 2-(2-ethoxyethoxy)propanoate.
What is the SMILES notation for potassium 2-(2-ethoxyethoxy)propanoate?
The canonical SMILES for potassium 2-(2-ethoxyethoxy)propanoate is CCOCCOC(C)C(=O)[O-].[K+].
What is the InChIKey of potassium 2-(2-ethoxyethoxy)propanoate?
The InChIKey is BCRJMPAOSQNFJU-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H14O4.K/c1-3-10-4-5-11-6(2)7(8)9;/h6H,3-5H2,1-2H3,(H,8,9);/q;+1/p-1.
What are the key properties of potassium 2-(2-ethoxyethoxy)propanoate?
potassium 2-(2-ethoxyethoxy)propanoate has a molecular weight of 200.27 g/mol, XLogP of -3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(2-ethoxyethoxy)propanoate is sourced from PubChem (CID 23670519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).