potassium 2-iodononanoate

C9H16IKO2 — CID 141360310

IUPACpotassium 2-iodononanoate
SMILESCCCCCCCC(I)C(=O)[O-].[K+]
InChIInChI=1S/C9H17IO2.K/c1-2-3-4-5-6-7-8(10)9(11)12;/h8H,2-7H2,1H3,(H,11,12);/q;+1/p-1
InChIKeyWBLXDTIOQJOGPM-UHFFFAOYSA-M
MW322.23 g/mol
LogP-1.10
Rot. Bonds7

About potassium 2-iodononanoate

potassium 2-iodononanoate (PubChem CID 141360310) has the molecular formula C9H16IKO2 and a molecular weight of 322.23 g/mol. Its IUPAC name is potassium 2-iodononanoate.

Molecular Properties

Compound Namepotassium 2-iodononanoate
PubChem CID141360310
Molecular FormulaC9H16IKO2
Molecular Weight322.23 g/mol
Exact Mass321.98
IUPAC Namepotassium 2-iodononanoate
SMILESCCCCCCCC(I)C(=O)[O-].[K+]
InChIInChI=1S/C9H17IO2.K/c1-2-3-4-5-6-7-8(10)9(11)12;/h8H,2-7H2,1H3,(H,11,12);/q;+1/p-1
InChIKeyWBLXDTIOQJOGPM-UHFFFAOYSA-M
XLogP-1.10
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.23
LogP ≤ 5-1.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze potassium 2-iodononanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium 2-iodododecanoate
CID 141360253
sodium 2-iodononanoate
CID 141360284
2-iodotetradecanoic acid
CID 536352
lithium;potassium;2-octylpropanedioate
CID 139411809
lithium;potassium;2-decylpropanedioate
CID 139411999
potassium;sodium;2-octylpropanedioate
CID 139411906
magnesium bis(2-methylnonanoate)
CID 175226104
2-iodododecanamide
CID 57350654
2,3-dioctadecylbutanedioate
CID 21183582
magnesium bis(2-propyldodecanoate)
CID 21393972
potassium 2-ethyldodecanoate
CID 90238812
2-iododecanoyl 2-iododecanoate
CID 171061308

Frequently Asked Questions

What is the IUPAC name of potassium 2-iodononanoate?
The IUPAC name of potassium 2-iodononanoate (CID 141360310) is potassium 2-iodononanoate.
What is the SMILES notation for potassium 2-iodononanoate?
The canonical SMILES for potassium 2-iodononanoate is CCCCCCCC(I)C(=O)[O-].[K+].
What is the InChIKey of potassium 2-iodononanoate?
The InChIKey is WBLXDTIOQJOGPM-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H17IO2.K/c1-2-3-4-5-6-7-8(10)9(11)12;/h8H,2-7H2,1H3,(H,11,12);/q;+1/p-1.
What are the key properties of potassium 2-iodononanoate?
potassium 2-iodononanoate has a molecular weight of 322.23 g/mol, XLogP of -1.10, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-iodononanoate is sourced from PubChem (CID 141360310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).