potassium 3-hydroxy-2,2,4,4-tetramethyloxetane-3-carboxylate

C8H13KO4 — CID 146082426

IUPACpotassium 3-hydroxy-2,2,4,4-tetramethyloxetane-3-carboxylate
SMILESCC1(C)OC(C)(C)C1(O)C(=O)[O-].[K+]
InChIInChI=1S/C8H14O4.K/c1-6(2)8(11,5(9)10)7(3,4)12-6;/h11H,1-4H3,(H,9,10);/q;+1/p-1
InChIKeyIEPBVLCQFOUFSJ-UHFFFAOYSA-M
MW212.29 g/mol
LogP-3.94
Rot. Bonds1

About potassium 3-hydroxy-2,2,4,4-tetramethyloxetane-3-carboxylate

potassium 3-hydroxy-2,2,4,4-tetramethyloxetane-3-carboxylate (PubChem CID 146082426) has the molecular formula C8H13KO4 and a molecular weight of 212.29 g/mol. Its IUPAC name is potassium 3-hydroxy-2,2,4,4-tetramethyloxetane-3-carboxylate.

Molecular Properties

Compound Namepotassium 3-hydroxy-2,2,4,4-tetramethyloxetane-3-carboxylate
PubChem CID146082426
Molecular FormulaC8H13KO4
Molecular Weight212.29 g/mol
Exact Mass212.05
IUPAC Namepotassium 3-hydroxy-2,2,4,4-tetramethyloxetane-3-carboxylate
SMILESCC1(C)OC(C)(C)C1(O)C(=O)[O-].[K+]
InChIInChI=1S/C8H14O4.K/c1-6(2)8(11,5(9)10)7(3,4)12-6;/h11H,1-4H3,(H,9,10);/q;+1/p-1
InChIKeyIEPBVLCQFOUFSJ-UHFFFAOYSA-M
XLogP-3.94
TPSA69.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 5-3.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of potassium 3-hydroxy-2,2,4,4-tetramethyloxetane-3-carboxylate?
The IUPAC name of potassium 3-hydroxy-2,2,4,4-tetramethyloxetane-3-carboxylate (CID 146082426) is potassium 3-hydroxy-2,2,4,4-tetramethyloxetane-3-carboxylate.
What is the SMILES notation for potassium 3-hydroxy-2,2,4,4-tetramethyloxetane-3-carboxylate?
The canonical SMILES for potassium 3-hydroxy-2,2,4,4-tetramethyloxetane-3-carboxylate is CC1(C)OC(C)(C)C1(O)C(=O)[O-].[K+].
What is the InChIKey of potassium 3-hydroxy-2,2,4,4-tetramethyloxetane-3-carboxylate?
The InChIKey is IEPBVLCQFOUFSJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H14O4.K/c1-6(2)8(11,5(9)10)7(3,4)12-6;/h11H,1-4H3,(H,9,10);/q;+1/p-1.
What are the key properties of potassium 3-hydroxy-2,2,4,4-tetramethyloxetane-3-carboxylate?
potassium 3-hydroxy-2,2,4,4-tetramethyloxetane-3-carboxylate has a molecular weight of 212.29 g/mol, XLogP of -3.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-hydroxy-2,2,4,4-tetramethyloxetane-3-carboxylate is sourced from PubChem (CID 146082426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).