potassium;iodo acetate;acetate

C4H6IKO4 — CID 139746674

IUPACpotassium;iodo acetate;acetate
SMILESCC(=O)OI.CC(=O)[O-].[K+]
InChIInChI=1S/C2H3IO2.C2H4O2.K/c1-2(4)5-3;1-2(3)4;/h1H3;1H3,(H,3,4);/q;;+1/p-1
InChIKeyBHJKNVOIWFAROF-UHFFFAOYSA-M
MW284.09 g/mol
LogP-3.34
Rot. Bonds

About potassium;iodo acetate;acetate

potassium;iodo acetate;acetate (PubChem CID 139746674) has the molecular formula C4H6IKO4 and a molecular weight of 284.09 g/mol. Its IUPAC name is potassium;iodo acetate;acetate.

Molecular Properties

Compound Namepotassium;iodo acetate;acetate
PubChem CID139746674
Molecular FormulaC4H6IKO4
Molecular Weight284.09 g/mol
Exact Mass283.89
IUPAC Namepotassium;iodo acetate;acetate
SMILESCC(=O)OI.CC(=O)[O-].[K+]
InChIInChI=1S/C2H3IO2.C2H4O2.K/c1-2(4)5-3;1-2(3)4;/h1H3;1H3,(H,3,4);/q;;+1/p-1
InChIKeyBHJKNVOIWFAROF-UHFFFAOYSA-M
XLogP-3.34
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.09
LogP ≤ 5-3.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

iodo acetate;hydrochloride
CID 22153279
sodium;hydride;iodo acetate;trihydrate
CID 174829921
potassium;methanol;acetate
CID 87290228
potassium;sodium;diacetate
CID 21470705
potassium;gold;palladium;acetate
CID 173229900
dipotassium;acetic acid;diacetate
CID 158588749
sodium;ethaneperoxoic acid;acetate
CID 87103299
manganese(3+) diacetate
CID 159209977
tricalcium diacetate
CID 19804487
uranium hexaacetate
CID 20541057
zirconium acetate
CID 18596
(indium(3+)) diacetate
CID 173450278

Frequently Asked Questions

What is the IUPAC name of potassium;iodo acetate;acetate?
The IUPAC name of potassium;iodo acetate;acetate (CID 139746674) is potassium;iodo acetate;acetate.
What is the SMILES notation for potassium;iodo acetate;acetate?
The canonical SMILES for potassium;iodo acetate;acetate is CC(=O)OI.CC(=O)[O-].[K+].
What is the InChIKey of potassium;iodo acetate;acetate?
The InChIKey is BHJKNVOIWFAROF-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H3IO2.C2H4O2.K/c1-2(4)5-3;1-2(3)4;/h1H3;1H3,(H,3,4);/q;;+1/p-1.
What are the key properties of potassium;iodo acetate;acetate?
potassium;iodo acetate;acetate has a molecular weight of 284.09 g/mol, XLogP of -3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;iodo acetate;acetate is sourced from PubChem (CID 139746674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).