sodium 2-iodononanoate

C9H16INaO2 — CID 141360284

IUPACsodium 2-iodononanoate
SMILESCCCCCCCC(I)C(=O)[O-].[Na+]
InChIInChI=1S/C9H17IO2.Na/c1-2-3-4-5-6-7-8(10)9(11)12;/h8H,2-7H2,1H3,(H,11,12);/q;+1/p-1
InChIKeyKRUCLDSQNJMSFV-UHFFFAOYSA-M
MW306.12 g/mol
LogP-1.10
Rot. Bonds7

About sodium 2-iodononanoate

sodium 2-iodononanoate (PubChem CID 141360284) has the molecular formula C9H16INaO2 and a molecular weight of 306.12 g/mol. Its IUPAC name is sodium 2-iodononanoate.

Molecular Properties

Compound Namesodium 2-iodononanoate
PubChem CID141360284
Molecular FormulaC9H16INaO2
Molecular Weight306.12 g/mol
Exact Mass306.01
IUPAC Namesodium 2-iodononanoate
SMILESCCCCCCCC(I)C(=O)[O-].[Na+]
InChIInChI=1S/C9H17IO2.Na/c1-2-3-4-5-6-7-8(10)9(11)12;/h8H,2-7H2,1H3,(H,11,12);/q;+1/p-1
InChIKeyKRUCLDSQNJMSFV-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 ≤ 500306.12
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'}

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Related Compounds

sodium 2-iodododecanoate
CID 141360253
potassium 2-iodononanoate
CID 141360310
2-iodotetradecanoic acid
CID 536352
disodium;2-undecylpropanedioate
CID 139411931
potassium;sodium;2-octylpropanedioate
CID 139411906
magnesium bis(2-methylnonanoate)
CID 175226104
2-iodododecanamide
CID 57350654
2,3-dioctadecylbutanedioate
CID 21183582
2-iododecanoyl 2-iododecanoate
CID 171061308
magnesium bis(2-propyldodecanoate)
CID 21393972
2-(tributylazaniumyl)dodecanoate
CID 20818039
2-hydroxydocosanoate
CID 22361325

Frequently Asked Questions

What is the IUPAC name of sodium 2-iodononanoate?
The IUPAC name of sodium 2-iodononanoate (CID 141360284) is sodium 2-iodononanoate.
What is the SMILES notation for sodium 2-iodononanoate?
The canonical SMILES for sodium 2-iodononanoate is CCCCCCCC(I)C(=O)[O-].[Na+].
What is the InChIKey of sodium 2-iodononanoate?
The InChIKey is KRUCLDSQNJMSFV-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H17IO2.Na/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 sodium 2-iodononanoate?
sodium 2-iodononanoate has a molecular weight of 306.12 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 sodium 2-iodononanoate is sourced from PubChem (CID 141360284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).