2,2,3,3,3-pentaiodopropanoic acid

C3HI5O2 — CID 23034930

IUPAC2,2,3,3,3-pentaiodopropanoic acid
SMILESO=C(O)C(I)(I)C(I)(I)I
InChIInChI=1S/C3HI5O2/c4-2(5,1(9)10)3(6,7)8/h(H,9,10)
InChIKeyCYTWPWLOOBTZNV-UHFFFAOYSA-N
MW703.56 g/mol
LogP3.60
Rot. Bonds2

About 2,2,3,3,3-pentaiodopropanoic acid

2,2,3,3,3-pentaiodopropanoic acid (PubChem CID 23034930) has the molecular formula C3HI5O2 and a molecular weight of 703.56 g/mol. Its IUPAC name is 2,2,3,3,3-pentaiodopropanoic acid.

Molecular Properties

Compound Name2,2,3,3,3-pentaiodopropanoic acid
PubChem CID23034930
Molecular FormulaC3HI5O2
Molecular Weight703.56 g/mol
Exact Mass703.52
IUPAC Name2,2,3,3,3-pentaiodopropanoic acid
SMILESO=C(O)C(I)(I)C(I)(I)I
InChIInChI=1S/C3HI5O2/c4-2(5,1(9)10)3(6,7)8/h(H,9,10)
InChIKeyCYTWPWLOOBTZNV-UHFFFAOYSA-N
XLogP3.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500703.56
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentaiodopropanoic acid?
The IUPAC name of 2,2,3,3,3-pentaiodopropanoic acid (CID 23034930) is 2,2,3,3,3-pentaiodopropanoic acid.
What is the SMILES notation for 2,2,3,3,3-pentaiodopropanoic acid?
The canonical SMILES for 2,2,3,3,3-pentaiodopropanoic acid is O=C(O)C(I)(I)C(I)(I)I.
What is the InChIKey of 2,2,3,3,3-pentaiodopropanoic acid?
The InChIKey is CYTWPWLOOBTZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HI5O2/c4-2(5,1(9)10)3(6,7)8/h(H,9,10).
What are the key properties of 2,2,3,3,3-pentaiodopropanoic acid?
2,2,3,3,3-pentaiodopropanoic acid has a molecular weight of 703.56 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentaiodopropanoic acid is sourced from PubChem (CID 23034930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).