potassium 2-propan-2-yloxy-2-thiophen-2-ylacetate

C9H11KO3S — CID 166597544

IUPACpotassium 2-propan-2-yloxy-2-thiophen-2-ylacetate
SMILESCC(C)OC(C(=O)[O-])c1cccs1.[K+]
InChIInChI=1S/C9H12O3S.K/c1-6(2)12-8(9(10)11)7-4-3-5-13-7;/h3-6,8H,1-2H3,(H,10,11);/q;+1/p-1
InChIKeyILXRHQVHRABMFD-UHFFFAOYSA-M
MW238.35 g/mol
LogP-2.03
Rot. Bonds4

About potassium 2-propan-2-yloxy-2-thiophen-2-ylacetate

potassium 2-propan-2-yloxy-2-thiophen-2-ylacetate (PubChem CID 166597544) has the molecular formula C9H11KO3S and a molecular weight of 238.35 g/mol. Its IUPAC name is potassium 2-propan-2-yloxy-2-thiophen-2-ylacetate.

Molecular Properties

Compound Namepotassium 2-propan-2-yloxy-2-thiophen-2-ylacetate
PubChem CID166597544
Molecular FormulaC9H11KO3S
Molecular Weight238.35 g/mol
Exact Mass238.01
IUPAC Namepotassium 2-propan-2-yloxy-2-thiophen-2-ylacetate
SMILESCC(C)OC(C(=O)[O-])c1cccs1.[K+]
InChIInChI=1S/C9H12O3S.K/c1-6(2)12-8(9(10)11)7-4-3-5-13-7;/h3-6,8H,1-2H3,(H,10,11);/q;+1/p-1
InChIKeyILXRHQVHRABMFD-UHFFFAOYSA-M
XLogP-2.03
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 5-2.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of potassium 2-propan-2-yloxy-2-thiophen-2-ylacetate?
The IUPAC name of potassium 2-propan-2-yloxy-2-thiophen-2-ylacetate (CID 166597544) is potassium 2-propan-2-yloxy-2-thiophen-2-ylacetate.
What is the SMILES notation for potassium 2-propan-2-yloxy-2-thiophen-2-ylacetate?
The canonical SMILES for potassium 2-propan-2-yloxy-2-thiophen-2-ylacetate is CC(C)OC(C(=O)[O-])c1cccs1.[K+].
What is the InChIKey of potassium 2-propan-2-yloxy-2-thiophen-2-ylacetate?
The InChIKey is ILXRHQVHRABMFD-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H12O3S.K/c1-6(2)12-8(9(10)11)7-4-3-5-13-7;/h3-6,8H,1-2H3,(H,10,11);/q;+1/p-1.
What are the key properties of potassium 2-propan-2-yloxy-2-thiophen-2-ylacetate?
potassium 2-propan-2-yloxy-2-thiophen-2-ylacetate has a molecular weight of 238.35 g/mol, XLogP of -2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-propan-2-yloxy-2-thiophen-2-ylacetate is sourced from PubChem (CID 166597544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).