potassium 2-(1-butoxyethoxy)propanoate

C9H17KO4 — CID 23687851

IUPACpotassium 2-(1-butoxyethoxy)propanoate
SMILESCCCCOC(C)OC(C)C(=O)[O-].[K+]
InChIInChI=1S/C9H18O4.K/c1-4-5-6-12-8(3)13-7(2)9(10)11;/h7-8H,4-6H2,1-3H3,(H,10,11);/q;+1/p-1
InChIKeyRTRYSRVMRWYOKR-UHFFFAOYSA-M
MW228.33 g/mol
LogP-2.69
Rot. Bonds7

About potassium 2-(1-butoxyethoxy)propanoate

potassium 2-(1-butoxyethoxy)propanoate (PubChem CID 23687851) has the molecular formula C9H17KO4 and a molecular weight of 228.33 g/mol. Its IUPAC name is potassium 2-(1-butoxyethoxy)propanoate.

Molecular Properties

Compound Namepotassium 2-(1-butoxyethoxy)propanoate
PubChem CID23687851
Molecular FormulaC9H17KO4
Molecular Weight228.33 g/mol
Exact Mass228.08
IUPAC Namepotassium 2-(1-butoxyethoxy)propanoate
SMILESCCCCOC(C)OC(C)C(=O)[O-].[K+]
InChIInChI=1S/C9H18O4.K/c1-4-5-6-12-8(3)13-7(2)9(10)11;/h7-8H,4-6H2,1-3H3,(H,10,11);/q;+1/p-1
InChIKeyRTRYSRVMRWYOKR-UHFFFAOYSA-M
XLogP-2.69
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 5-2.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium 2-butoxypropanoate
CID 141029680
1-[1-(1-methoxyethoxy)ethoxy]butane
CID 22025807
1-[1-(1-butoxyethoxy)ethoxy]butane;propane-1,2-diol
CID 87392981
1-(1-butoxyethoxy)butane;bis(carbamothioic S-acid)
CID 87357285
1,1,3,3-tetrabutoxypropan-2-one
CID 546234
trisodium;2-(1-dodecoxyethoxy)-3-sulfonatobutanedioate
CID 173449208
1-[1-(dimethoxymethoxy)ethoxy]butane
CID 174779567
1-(1-hexoxyethoxy)ethanol
CID 22559456
1-butoxyethoxymethanol
CID 19047949
bis(butoxytin(3+));oxalate
CID 175484134
3-(1-butoxyethoxy)propan-1-ol
CID 54457983
9-[1-(1-butoxyethoxy)ethoxy]-9-oxononanoic acid
CID 121292930

Frequently Asked Questions

What is the IUPAC name of potassium 2-(1-butoxyethoxy)propanoate?
The IUPAC name of potassium 2-(1-butoxyethoxy)propanoate (CID 23687851) is potassium 2-(1-butoxyethoxy)propanoate.
What is the SMILES notation for potassium 2-(1-butoxyethoxy)propanoate?
The canonical SMILES for potassium 2-(1-butoxyethoxy)propanoate is CCCCOC(C)OC(C)C(=O)[O-].[K+].
What is the InChIKey of potassium 2-(1-butoxyethoxy)propanoate?
The InChIKey is RTRYSRVMRWYOKR-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H18O4.K/c1-4-5-6-12-8(3)13-7(2)9(10)11;/h7-8H,4-6H2,1-3H3,(H,10,11);/q;+1/p-1.
What are the key properties of potassium 2-(1-butoxyethoxy)propanoate?
potassium 2-(1-butoxyethoxy)propanoate has a molecular weight of 228.33 g/mol, XLogP of -2.69, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(1-butoxyethoxy)propanoate is sourced from PubChem (CID 23687851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).